[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate;[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;6-[6-[2-[(3R,4R)-1-methyl-2,5-dioxo-4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxyethoxy]pyrrolidin-3-yl]oxyethoxy]naphthalen-2-yl]oxyhexyl prop-2-enoate;6-[6-[(3R,4R)-1-methyl-2,5-dioxo-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxypyrrolidin-3-yl]oxynaphthalen-2-yl]oxyhexyl prop-2-enoate;[4-[(3R,4R)-1-methyl-4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxybenzoyl]oxy-2,5-dioxopyrrolidin-3-yl]oxycarbonylphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate

C287H296N6O87 — CID 161443706

IUPAC[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate;[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;6-[6-[2-[(3R,4R)-1-methyl-2,5-dioxo-4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxyethoxy]pyrrolidin-3-yl]oxyethoxy]naphthalen-2-yl]oxyhexyl prop-2-enoate;6-[6-[(3R,4R)-1-methyl-2,5-dioxo-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxypyrrolidin-3-yl]oxynaphthalen-2-yl]oxyhexyl prop-2-enoate;[4-[(3R,4R)-1-methyl-4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxybenzoyl]oxy-2,5-dioxopyrrolidin-3-yl]oxycarbonylphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate
SMILESC=C(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)O[C@H]3C(=O)N(C)C(=O)[C@@H]3OC(=O)c3ccc(OC(=O)c4ccc(OCCCCCCOC(=O)C(=C)C)cc4)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)O[C@H]3C(=O)N(C)C(=O)[C@@H]3OC(=O)c3ccc(OC(=O)c4ccc(OCCOCCOC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)O[C@H]3C(=O)N(C)C(=O)[C@@H]3OC(=O)c3ccc4cc(OCCCCCCOC(=O)C=C)ccc4c3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc2cc(OCCO[C@H]3C(=O)N(C)C(=O)[C@@H]3OCCOc3ccc4cc(OCCCCCCOC(=O)C=C)ccc4c3)ccc2c1.C=CC(=O)OCCCCCCOc1ccc2cc(O[C@H]3C(=O)N(C)C(=O)[C@@H]3Oc3ccc4cc(OCCCCCCOC(=O)C=C)ccc4c3)ccc2c1.C=CC(=O)OCCOCCOc1ccc(C(=O)Oc2ccc(C(=O)O[C@H]3C(=O)N(C)C(=O)[C@@H]3OC(=O)c3ccc(OC(=O)c4ccc(OCCOCCOC(=O)C=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C53H55NO16.C49H47NO17.C48H49NO14.C47H43NO18.C47H55NO12.C43H47NO10/c1-34(2)48(57)65-32-12-8-6-10-30-63-40-22-14-36(15-23-40)50(59)67-42-26-18-38(19-27-42)52(61)69-44-45(47(56)54(5)46(44)55)70-53(62)39-20-28-43(29-21-39)68-51(60)37-16-24-41(25-17-37)64-31-11-7-9-13-33-66-49(58)35(3)4;1-4-40(51)62-27-9-7-6-8-26-60-36-18-10-32(11-19-36)46(55)64-38-22-14-34(15-23-38)48(57)66-42-43(45(54)50(3)44(42)53)67-49(58)35-16-24-39(25-17-35)65-47(56)33-12-20-37(21-13-33)61-30-28-59-29-31-63-41(52)5-2;1-4-40(50)59-28-12-8-6-10-26-57-37-21-16-32(17-22-37)46(54)61-38-23-18-33(19-24-38)47(55)62-42-43(45(53)49(3)44(42)52)63-48(56)36-15-14-35-31-39(25-20-34(35)30-36)58-27-11-7-9-13-29-60-41(51)5-2;1-4-38(49)61-28-24-57-22-26-59-34-14-6-30(7-15-34)44(53)63-36-18-10-32(11-19-36)46(55)65-40-41(43(52)48(3)42(40)51)66-47(56)33-12-20-37(21-13-33)64-45(54)31-8-16-35(17-9-31)60-27-23-58-25-29-62-39(50)5-2;1-4-42(49)57-24-12-8-6-10-22-53-38-18-14-36-32-40(20-16-34(36)30-38)55-26-28-59-44-45(47(52)48(3)46(44)51)60-29-27-56-41-21-17-35-31-39(19-15-37(35)33-41)54-23-11-7-9-13-25-58-43(50)5-2;1-4-38(45)51-24-12-8-6-10-22-49-34-18-14-32-28-36(20-16-30(32)26-34)53-40-41(43(48)44(3)42(40)47)54-37-21-17-31-27-35(19-15-33(31)29-37)50-23-11-7-9-13-25-52-39(46)5-2/h14-29,44-45H,1,3,6-13,30-33H2,2,4-5H3;4-5,10-25,42-43H,1-2,6-9,26-31H2,3H3;4-5,14-25,30-31,42-43H,1-2,6-13,26-29H2,3H3;4-21,40-41H,1-2,22-29H2,3H3;4-5,14-21,30-33,44-45H,1-2,6-13,22-29H2,3H3;4-5,14-21,26-29,40-41H,1-2,6-13,22-25H2,3H3/t44-,45-;2*42-,43-;40-,41-;44-,45-;40-,41-/m111111/s1
InChIKeyVZPSZJKOGNQMKU-FGZCFCPCSA-N
MW5221.48 g/mol
LogP40.01
Rot. Bonds149

About [4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate;[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;6-[6-[2-[(3R,4R)-1-methyl-2,5-dioxo-4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxyethoxy]pyrrolidin-3-yl]oxyethoxy]naphthalen-2-yl]oxyhexyl prop-2-enoate;6-[6-[(3R,4R)-1-methyl-2,5-dioxo-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxypyrrolidin-3-yl]oxynaphthalen-2-yl]oxyhexyl prop-2-enoate;[4-[(3R,4R)-1-methyl-4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxybenzoyl]oxy-2,5-dioxopyrrolidin-3-yl]oxycarbonylphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate

[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate;[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;6-[6-[2-[(3R,4R)-1-methyl-2,5-dioxo-4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxyethoxy]pyrrolidin-3-yl]oxyethoxy]naphthalen-2-yl]oxyhexyl prop-2-enoate;6-[6-[(3R,4R)-1-methyl-2,5-dioxo-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxypyrrolidin-3-yl]oxynaphthalen-2-yl]oxyhexyl prop-2-enoate;[4-[(3R,4R)-1-methyl-4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxybenzoyl]oxy-2,5-dioxopyrrolidin-3-yl]oxycarbonylphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate (PubChem CID 161443706) has the molecular formula C287H296N6O87 and a molecular weight of 5221.48 g/mol. Its IUPAC name is [4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate;[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;6-[6-[2-[(3R,4R)-1-methyl-2,5-dioxo-4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxyethoxy]pyrrolidin-3-yl]oxyethoxy]naphthalen-2-yl]oxyhexyl prop-2-enoate;6-[6-[(3R,4R)-1-methyl-2,5-dioxo-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxypyrrolidin-3-yl]oxynaphthalen-2-yl]oxyhexyl prop-2-enoate;[4-[(3R,4R)-1-methyl-4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxybenzoyl]oxy-2,5-dioxopyrrolidin-3-yl]oxycarbonylphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate.

Molecular Properties

Compound Name[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate;[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;6-[6-[2-[(3R,4R)-1-methyl-2,5-dioxo-4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxyethoxy]pyrrolidin-3-yl]oxyethoxy]naphthalen-2-yl]oxyhexyl prop-2-enoate;6-[6-[(3R,4R)-1-methyl-2,5-dioxo-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxypyrrolidin-3-yl]oxynaphthalen-2-yl]oxyhexyl prop-2-enoate;[4-[(3R,4R)-1-methyl-4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxybenzoyl]oxy-2,5-dioxopyrrolidin-3-yl]oxycarbonylphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate
PubChem CID161443706
Molecular FormulaC287H296N6O87
Molecular Weight5221.48 g/mol
Exact Mass5217.89
IUPAC Name[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate;[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;6-[6-[2-[(3R,4R)-1-methyl-2,5-dioxo-4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxyethoxy]pyrrolidin-3-yl]oxyethoxy]naphthalen-2-yl]oxyhexyl prop-2-enoate;6-[6-[(3R,4R)-1-methyl-2,5-dioxo-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxypyrrolidin-3-yl]oxynaphthalen-2-yl]oxyhexyl prop-2-enoate;[4-[(3R,4R)-1-methyl-4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxybenzoyl]oxy-2,5-dioxopyrrolidin-3-yl]oxycarbonylphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate
SMILESC=C(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)O[C@H]3C(=O)N(C)C(=O)[C@@H]3OC(=O)c3ccc(OC(=O)c4ccc(OCCCCCCOC(=O)C(=C)C)cc4)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)O[C@H]3C(=O)N(C)C(=O)[C@@H]3OC(=O)c3ccc(OC(=O)c4ccc(OCCOCCOC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)O[C@H]3C(=O)N(C)C(=O)[C@@H]3OC(=O)c3ccc4cc(OCCCCCCOC(=O)C=C)ccc4c3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc2cc(OCCO[C@H]3C(=O)N(C)C(=O)[C@@H]3OCCOc3ccc4cc(OCCCCCCOC(=O)C=C)ccc4c3)ccc2c1.C=CC(=O)OCCCCCCOc1ccc2cc(O[C@H]3C(=O)N(C)C(=O)[C@@H]3Oc3ccc4cc(OCCCCCCOC(=O)C=C)ccc4c3)ccc2c1.C=CC(=O)OCCOCCOc1ccc(C(=O)Oc2ccc(C(=O)O[C@H]3C(=O)N(C)C(=O)[C@@H]3OC(=O)c3ccc(OC(=O)c4ccc(OCCOCCOC(=O)C=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C53H55NO16.C49H47NO17.C48H49NO14.C47H43NO18.C47H55NO12.C43H47NO10/c1-34(2)48(57)65-32-12-8-6-10-30-63-40-22-14-36(15-23-40)50(59)67-42-26-18-38(19-27-42)52(61)69-44-45(47(56)54(5)46(44)55)70-53(62)39-20-28-43(29-21-39)68-51(60)37-16-24-41(25-17-37)64-31-11-7-9-13-33-66-49(58)35(3)4;1-4-40(51)62-27-9-7-6-8-26-60-36-18-10-32(11-19-36)46(55)64-38-22-14-34(15-23-38)48(57)66-42-43(45(54)50(3)44(42)53)67-49(58)35-16-24-39(25-17-35)65-47(56)33-12-20-37(21-13-33)61-30-28-59-29-31-63-41(52)5-2;1-4-40(50)59-28-12-8-6-10-26-57-37-21-16-32(17-22-37)46(54)61-38-23-18-33(19-24-38)47(55)62-42-43(45(53)49(3)44(42)52)63-48(56)36-15-14-35-31-39(25-20-34(35)30-36)58-27-11-7-9-13-29-60-41(51)5-2;1-4-38(49)61-28-24-57-22-26-59-34-14-6-30(7-15-34)44(53)63-36-18-10-32(11-19-36)46(55)65-40-41(43(52)48(3)42(40)51)66-47(56)33-12-20-37(21-13-33)64-45(54)31-8-16-35(17-9-31)60-27-23-58-25-29-62-39(50)5-2;1-4-42(49)57-24-12-8-6-10-22-53-38-18-14-36-32-40(20-16-34(36)30-38)55-26-28-59-44-45(47(52)48(3)46(44)51)60-29-27-56-41-21-17-35-31-39(19-15-37(35)33-41)54-23-11-7-9-13-25-58-43(50)5-2;1-4-38(45)51-24-12-8-6-10-22-49-34-18-14-32-28-36(20-16-30(32)26-34)53-40-41(43(48)44(3)42(40)47)54-37-21-17-31-27-35(19-15-33(31)29-37)50-23-11-7-9-13-25-52-39(46)5-2/h14-29,44-45H,1,3,6-13,30-33H2,2,4-5H3;4-5,10-25,42-43H,1-2,6-9,26-31H2,3H3;4-5,14-25,30-31,42-43H,1-2,6-13,26-29H2,3H3;4-21,40-41H,1-2,22-29H2,3H3;4-5,14-21,30-33,44-45H,1-2,6-13,22-29H2,3H3;4-5,14-21,26-29,40-41H,1-2,6-13,22-25H2,3H3/t44-,45-;2*42-,43-;40-,41-;44-,45-;40-,41-/m111111/s1
InChIKeyVZPSZJKOGNQMKU-FGZCFCPCSA-N
XLogP40.01
TPSA1128.21 Ų
H-Bond Donors
H-Bond Acceptors87
Rotatable Bonds149
Heavy Atoms380
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005221.48
LogP ≤ 540.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1087

Analyze [4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate;[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;6-[6-[2-[(3R,4R)-1-methyl-2,5-dioxo-4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxyethoxy]pyrrolidin-3-yl]oxyethoxy]naphthalen-2-yl]oxyhexyl prop-2-enoate;6-[6-[(3R,4R)-1-methyl-2,5-dioxo-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxypyrrolidin-3-yl]oxynaphthalen-2-yl]oxyhexyl prop-2-enoate;[4-[(3R,4R)-1-methyl-4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxybenzoyl]oxy-2,5-dioxopyrrolidin-3-yl]oxycarbonylphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate;[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;6-[6-[2-[(3R,4R)-1-methyl-2,5-dioxo-4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxyethoxy]pyrrolidin-3-yl]oxyethoxy]naphthalen-2-yl]oxyhexyl prop-2-enoate;6-[6-[(3R,4R)-1-methyl-2,5-dioxo-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxypyrrolidin-3-yl]oxynaphthalen-2-yl]oxyhexyl prop-2-enoate;[4-[(3R,4R)-1-methyl-4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxybenzoyl]oxy-2,5-dioxopyrrolidin-3-yl]oxycarbonylphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate?
The IUPAC name of [4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate;[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;6-[6-[2-[(3R,4R)-1-methyl-2,5-dioxo-4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxyethoxy]pyrrolidin-3-yl]oxyethoxy]naphthalen-2-yl]oxyhexyl prop-2-enoate;6-[6-[(3R,4R)-1-methyl-2,5-dioxo-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxypyrrolidin-3-yl]oxynaphthalen-2-yl]oxyhexyl prop-2-enoate;[4-[(3R,4R)-1-methyl-4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxybenzoyl]oxy-2,5-dioxopyrrolidin-3-yl]oxycarbonylphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate (CID 161443706) is [4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate;[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;6-[6-[2-[(3R,4R)-1-methyl-2,5-dioxo-4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxyethoxy]pyrrolidin-3-yl]oxyethoxy]naphthalen-2-yl]oxyhexyl prop-2-enoate;6-[6-[(3R,4R)-1-methyl-2,5-dioxo-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxypyrrolidin-3-yl]oxynaphthalen-2-yl]oxyhexyl prop-2-enoate;[4-[(3R,4R)-1-methyl-4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxybenzoyl]oxy-2,5-dioxopyrrolidin-3-yl]oxycarbonylphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate.
What is the SMILES notation for [4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate;[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;6-[6-[2-[(3R,4R)-1-methyl-2,5-dioxo-4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxyethoxy]pyrrolidin-3-yl]oxyethoxy]naphthalen-2-yl]oxyhexyl prop-2-enoate;6-[6-[(3R,4R)-1-methyl-2,5-dioxo-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxypyrrolidin-3-yl]oxynaphthalen-2-yl]oxyhexyl prop-2-enoate;[4-[(3R,4R)-1-methyl-4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxybenzoyl]oxy-2,5-dioxopyrrolidin-3-yl]oxycarbonylphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate?
The canonical SMILES for [4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate;[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;6-[6-[2-[(3R,4R)-1-methyl-2,5-dioxo-4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxyethoxy]pyrrolidin-3-yl]oxyethoxy]naphthalen-2-yl]oxyhexyl prop-2-enoate;6-[6-[(3R,4R)-1-methyl-2,5-dioxo-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxypyrrolidin-3-yl]oxynaphthalen-2-yl]oxyhexyl prop-2-enoate;[4-[(3R,4R)-1-methyl-4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxybenzoyl]oxy-2,5-dioxopyrrolidin-3-yl]oxycarbonylphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate is C=C(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)O[C@H]3C(=O)N(C)C(=O)[C@@H]3OC(=O)c3ccc(OC(=O)c4ccc(OCCCCCCOC(=O)C(=C)C)cc4)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)O[C@H]3C(=O)N(C)C(=O)[C@@H]3OC(=O)c3ccc(OC(=O)c4ccc(OCCOCCOC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)O[C@H]3C(=O)N(C)C(=O)[C@@H]3OC(=O)c3ccc4cc(OCCCCCCOC(=O)C=C)ccc4c3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc2cc(OCCO[C@H]3C(=O)N(C)C(=O)[C@@H]3OCCOc3ccc4cc(OCCCCCCOC(=O)C=C)ccc4c3)ccc2c1.C=CC(=O)OCCCCCCOc1ccc2cc(O[C@H]3C(=O)N(C)C(=O)[C@@H]3Oc3ccc4cc(OCCCCCCOC(=O)C=C)ccc4c3)ccc2c1.C=CC(=O)OCCOCCOc1ccc(C(=O)Oc2ccc(C(=O)O[C@H]3C(=O)N(C)C(=O)[C@@H]3OC(=O)c3ccc(OC(=O)c4ccc(OCCOCCOC(=O)C=C)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate;[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;6-[6-[2-[(3R,4R)-1-methyl-2,5-dioxo-4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxyethoxy]pyrrolidin-3-yl]oxyethoxy]naphthalen-2-yl]oxyhexyl prop-2-enoate;6-[6-[(3R,4R)-1-methyl-2,5-dioxo-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxypyrrolidin-3-yl]oxynaphthalen-2-yl]oxyhexyl prop-2-enoate;[4-[(3R,4R)-1-methyl-4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxybenzoyl]oxy-2,5-dioxopyrrolidin-3-yl]oxycarbonylphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate?
The InChIKey is VZPSZJKOGNQMKU-FGZCFCPCSA-N. The full InChI is InChI=1S/C53H55NO16.C49H47NO17.C48H49NO14.C47H43NO18.C47H55NO12.C43H47NO10/c1-34(2)48(57)65-32-12-8-6-10-30-63-40-22-14-36(15-23-40)50(59)67-42-26-18-38(19-27-42)52(61)69-44-45(47(56)54(5)46(44)55)70-53(62)39-20-28-43(29-21-39)68-51(60)37-16-24-41(25-17-37)64-31-11-7-9-13-33-66-49(58)35(3)4;1-4-40(51)62-27-9-7-6-8-26-60-36-18-10-32(11-19-36)46(55)64-38-22-14-34(15-23-38)48(57)66-42-43(45(54)50(3)44(42)53)67-49(58)35-16-24-39(25-17-35)65-47(56)33-12-20-37(21-13-33)61-30-28-59-29-31-63-41(52)5-2;1-4-40(50)59-28-12-8-6-10-26-57-37-21-16-32(17-22-37)46(54)61-38-23-18-33(19-24-38)47(55)62-42-43(45(53)49(3)44(42)52)63-48(56)36-15-14-35-31-39(25-20-34(35)30-36)58-27-11-7-9-13-29-60-41(51)5-2;1-4-38(49)61-28-24-57-22-26-59-34-14-6-30(7-15-34)44(53)63-36-18-10-32(11-19-36)46(55)65-40-41(43(52)48(3)42(40)51)66-47(56)33-12-20-37(21-13-33)64-45(54)31-8-16-35(17-9-31)60-27-23-58-25-29-62-39(50)5-2;1-4-42(49)57-24-12-8-6-10-22-53-38-18-14-36-32-40(20-16-34(36)30-38)55-26-28-59-44-45(47(52)48(3)46(44)51)60-29-27-56-41-21-17-35-31-39(19-15-37(35)33-41)54-23-11-7-9-13-25-58-43(50)5-2;1-4-38(45)51-24-12-8-6-10-22-49-34-18-14-32-28-36(20-16-30(32)26-34)53-40-41(43(48)44(3)42(40)47)54-37-21-17-31-27-35(19-15-33(31)29-37)50-23-11-7-9-13-25-52-39(46)5-2/h14-29,44-45H,1,3,6-13,30-33H2,2,4-5H3;4-5,10-25,42-43H,1-2,6-9,26-31H2,3H3;4-5,14-25,30-31,42-43H,1-2,6-13,26-29H2,3H3;4-21,40-41H,1-2,22-29H2,3H3;4-5,14-21,30-33,44-45H,1-2,6-13,22-29H2,3H3;4-5,14-21,26-29,40-41H,1-2,6-13,22-25H2,3H3/t44-,45-;2*42-,43-;40-,41-;44-,45-;40-,41-/m111111/s1.
What are the key properties of [4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate;[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;6-[6-[2-[(3R,4R)-1-methyl-2,5-dioxo-4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxyethoxy]pyrrolidin-3-yl]oxyethoxy]naphthalen-2-yl]oxyhexyl prop-2-enoate;6-[6-[(3R,4R)-1-methyl-2,5-dioxo-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxypyrrolidin-3-yl]oxynaphthalen-2-yl]oxyhexyl prop-2-enoate;[4-[(3R,4R)-1-methyl-4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxybenzoyl]oxy-2,5-dioxopyrrolidin-3-yl]oxycarbonylphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate?
[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate;[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;6-[6-[2-[(3R,4R)-1-methyl-2,5-dioxo-4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxyethoxy]pyrrolidin-3-yl]oxyethoxy]naphthalen-2-yl]oxyhexyl prop-2-enoate;6-[6-[(3R,4R)-1-methyl-2,5-dioxo-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxypyrrolidin-3-yl]oxynaphthalen-2-yl]oxyhexyl prop-2-enoate;[4-[(3R,4R)-1-methyl-4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxybenzoyl]oxy-2,5-dioxopyrrolidin-3-yl]oxycarbonylphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate has a molecular weight of 5221.48 g/mol, XLogP of 40.01, 149 rotatable bonds, 0 hydrogen bond donors, and 87 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate;[4-[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoyl]oxybenzoyl]oxypyrrolidin-3-yl]oxycarbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[(3R,4R)-1-methyl-2,5-dioxo-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxypyrrolidin-3-yl] 6-(6-prop-2-enoyloxyhexoxy)naphthalene-2-carboxylate;6-[6-[2-[(3R,4R)-1-methyl-2,5-dioxo-4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxyethoxy]pyrrolidin-3-yl]oxyethoxy]naphthalen-2-yl]oxyhexyl prop-2-enoate;6-[6-[(3R,4R)-1-methyl-2,5-dioxo-4-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]oxypyrrolidin-3-yl]oxynaphthalen-2-yl]oxyhexyl prop-2-enoate;[4-[(3R,4R)-1-methyl-4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxybenzoyl]oxy-2,5-dioxopyrrolidin-3-yl]oxycarbonylphenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate is sourced from PubChem (CID 161443706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).