About [2-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-7-methyl-4-oxo-3,1-benzoxazin-6-yl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[7-methyl-2-[3-methyl-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-4-oxo-3,1-benzoxazin-6-yl] 3-methoxy-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate
[2-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-7-methyl-4-oxo-3,1-benzoxazin-6-yl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[7-methyl-2-[3-methyl-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-4-oxo-3,1-benzoxazin-6-yl] 3-methoxy-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate (PubChem CID 158460139) has the molecular formula C194H168Cl2N6O61
and a molecular weight of 3630.36 g/mol. Its IUPAC name is [2-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-7-methyl-4-oxo-3,1-benzoxazin-6-yl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[7-methyl-2-[3-methyl-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-4-oxo-3,1-benzoxazin-6-yl] 3-methoxy-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate.
Frequently Asked Questions
What is the IUPAC name of [2-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-7-methyl-4-oxo-3,1-benzoxazin-6-yl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[7-methyl-2-[3-methyl-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-4-oxo-3,1-benzoxazin-6-yl] 3-methoxy-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate?
The IUPAC name of [2-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-7-methyl-4-oxo-3,1-benzoxazin-6-yl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[7-methyl-2-[3-methyl-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-4-oxo-3,1-benzoxazin-6-yl] 3-methoxy-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate (CID 158460139) is [2-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-7-methyl-4-oxo-3,1-benzoxazin-6-yl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[7-methyl-2-[3-methyl-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-4-oxo-3,1-benzoxazin-6-yl] 3-methoxy-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate.
What is the SMILES notation for [2-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-7-methyl-4-oxo-3,1-benzoxazin-6-yl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[7-methyl-2-[3-methyl-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-4-oxo-3,1-benzoxazin-6-yl] 3-methoxy-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate?
The canonical SMILES for [2-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-7-methyl-4-oxo-3,1-benzoxazin-6-yl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[7-methyl-2-[3-methyl-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-4-oxo-3,1-benzoxazin-6-yl] 3-methoxy-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate is C=CC(=O)OCCCCOC(=O)Oc1ccc(-c2nc3cc(C)c(OC(=O)c4ccc(OC(=O)OCCCCOC(=O)C=C)c(OC)c4)cc3c(=O)o2)cc1C.C=CC(=O)OCCCCOC(=O)Oc1ccc(C(=O)Oc2cc3c(=O)oc(-c4ccc(OC(=O)OCCCCOC(=O)C=C)c(Cl)c4)nc3cc2C)cc1Cl.C=CC(=O)OCCCCOC(=O)Oc1ccc(C(=O)Oc2ccc(-c3nc4ccccc4c(=O)o3)cc2)cc1.C=CC(=O)OCCCCOC(=O)Oc1ccc(C(=O)Oc2ccc(-c3nc4ccccc4c(=O)o3)cc2C)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(-c3nc4ccccc4c(=O)o3)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(-c3nc4ccccc4c(=O)o3)cc2C)cc1.
What is the InChIKey of [2-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-7-methyl-4-oxo-3,1-benzoxazin-6-yl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[7-methyl-2-[3-methyl-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-4-oxo-3,1-benzoxazin-6-yl] 3-methoxy-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate?
The InChIKey is HFBKHCZWKHILKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39NO15.C38H33Cl2NO14.C30H25NO9.C29H23NO9.C29H25NO7.C28H23NO7/c1-6-34(42)49-16-8-10-18-51-39(46)54-30-14-12-26(20-24(30)3)36-41-29-21-25(4)32(23-28(29)38(45)56-36)53-37(44)27-13-15-31(33(22-27)48-5)55-40(47)52-19-11-9-17-50-35(43)7-2;1-4-32(42)48-14-6-8-16-50-37(46)53-29-12-10-23(19-26(29)39)34-41-28-18-22(3)31(21-25(28)36(45)55-34)52-35(44)24-11-13-30(27(40)20-24)54-38(47)51-17-9-7-15-49-33(43)5-2;1-3-26(32)36-16-6-7-17-37-30(35)38-22-13-10-20(11-14-22)28(33)39-25-15-12-21(18-19(25)2)27-31-24-9-5-4-8-23(24)29(34)40-27;1-2-25(31)35-17-5-6-18-36-29(34)38-22-15-11-20(12-16-22)27(32)37-21-13-9-19(10-14-21)26-30-24-8-4-3-7-23(24)28(33)39-26;1-3-26(31)35-17-7-6-16-34-22-13-10-20(11-14-22)28(32)36-25-15-12-21(18-19(25)2)27-30-24-9-5-4-8-23(24)29(33)37-27;1-2-25(30)34-18-6-5-17-33-21-13-11-20(12-14-21)27(31)35-22-15-9-19(10-16-22)26-29-24-8-4-3-7-23(24)28(32)36-26/h6-7,12-15,20-23H,1-2,8-11,16-19H2,3-5H3;4-5,10-13,18-21H,1-2,6-9,14-17H2,3H3;3-5,8-15,18H,1,6-7,16-17H2,2H3;2-4,7-16H,1,5-6,17-18H2;3-5,8-15,18H,1,6-7,16-17H2,2H3;2-4,7-16H,1,5-6,17-18H2.
What are the key properties of [2-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-7-methyl-4-oxo-3,1-benzoxazin-6-yl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[7-methyl-2-[3-methyl-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-4-oxo-3,1-benzoxazin-6-yl] 3-methoxy-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate?
[2-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-7-methyl-4-oxo-3,1-benzoxazin-6-yl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[7-methyl-2-[3-methyl-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-4-oxo-3,1-benzoxazin-6-yl] 3-methoxy-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate has a molecular weight of 3630.36 g/mol, XLogP of 35.23, 75 rotatable bonds, 0 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-7-methyl-4-oxo-3,1-benzoxazin-6-yl] 3-chloro-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[7-methyl-2-[3-methyl-4-(4-prop-2-enoyloxybutoxycarbonyloxy)phenyl]-4-oxo-3,1-benzoxazin-6-yl] 3-methoxy-4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2-methyl-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate is sourced from PubChem (CID 158460139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).