ethyl (E)-2-cyano-3-[4-[2-[4-[4-[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethylanilino]ethoxy]phenyl]phenoxy]ethyl-ethylamino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[3-[2-[3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]propyl]phenyl]propyl-ethylamino]-2-methylphenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)anilino]methyl]phenyl]methyl-(hydroxymethyl)amino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)-2,5-dimethoxyanilino]methyl]phenyl]methyl-(hydroxymethyl)amino]-2,5-dimethoxyphenyl]prop-2-enoate

C158H172N16O26 — CID 158154710

IUPACethyl (E)-2-cyano-3-[4-[2-[4-[4-[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethylanilino]ethoxy]phenyl]phenoxy]ethyl-ethylamino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[3-[2-[3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]propyl]phenyl]propyl-ethylamino]-2-methylphenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)anilino]methyl]phenyl]methyl-(hydroxymethyl)amino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)-2,5-dimethoxyanilino]methyl]phenyl]methyl-(hydroxymethyl)amino]-2,5-dimethoxyphenyl]prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/c1cc(OC)c(N(CO)Cc2ccc(CN(CO)c3cc(OC)c(/C=C(\C#N)C(=O)OCC)cc3OC)cc2)cc1OC.CCOC(=O)/C(C#N)=C/c1ccc(N(CC)CCCc2ccccc2CCCN(CC)c2ccc(/C=C(\C#N)C(=O)OCC)c(C)c2)cc1C.CCOC(=O)/C(C#N)=C/c1ccc(N(CC)CCOc2ccc(-c3ccc(OCCN(CC)c4ccc(/C=C(\C#N)C(=O)OCC)cc4)cc3)cc2)cc1.CCOC(=O)/C(C#N)=C/c1ccc(N(CO)Cc2ccc(CN(CO)c3ccc(/C=C(\C#N)C(=O)OCC)cc3)cc2)cc1
InChIInChI=1S/C44H46N4O6.C42H50N4O4.C38H42N4O10.C34H34N4O6/c1-5-47(39-17-9-33(10-18-39)29-37(31-45)43(49)51-7-3)25-27-53-41-21-13-35(14-22-41)36-15-23-42(24-16-36)54-28-26-48(6-2)40-19-11-34(12-20-40)30-38(32-46)44(50)52-8-4;1-7-45(39-21-19-35(31(5)25-39)27-37(29-43)41(47)49-9-3)23-13-17-33-15-11-12-16-34(33)18-14-24-46(8-2)40-22-20-36(32(6)26-40)28-38(30-44)42(48)50-10-4;1-7-51-37(45)29(19-39)13-27-15-35(49-5)31(17-33(27)47-3)41(23-43)21-25-9-11-26(12-10-25)22-42(24-44)32-18-34(48-4)28(16-36(32)50-6)14-30(20-40)38(46)52-8-2;1-3-43-33(41)29(19-35)17-25-9-13-31(14-10-25)37(23-39)21-27-5-7-28(8-6-27)22-38(24-40)32-15-11-26(12-16-32)18-30(20-36)34(42)44-4-2/h9-24,29-30H,5-8,25-28H2,1-4H3;11-12,15-16,19-22,25-28H,7-10,13-14,17-18,23-24H2,1-6H3;9-18,43-44H,7-8,21-24H2,1-6H3;5-18,39-40H,3-4,21-24H2,1-2H3/b37-29+,38-30+;37-27+,38-28+;29-13+,30-14+;29-17+,30-18+
InChIKeyFVNQEUJOTLXAFW-HEPXRWJESA-N
MW2711.20 g/mol
LogP25.38
Rot. Bonds69

About ethyl (E)-2-cyano-3-[4-[2-[4-[4-[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethylanilino]ethoxy]phenyl]phenoxy]ethyl-ethylamino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[3-[2-[3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]propyl]phenyl]propyl-ethylamino]-2-methylphenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)anilino]methyl]phenyl]methyl-(hydroxymethyl)amino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)-2,5-dimethoxyanilino]methyl]phenyl]methyl-(hydroxymethyl)amino]-2,5-dimethoxyphenyl]prop-2-enoate

ethyl (E)-2-cyano-3-[4-[2-[4-[4-[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethylanilino]ethoxy]phenyl]phenoxy]ethyl-ethylamino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[3-[2-[3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]propyl]phenyl]propyl-ethylamino]-2-methylphenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)anilino]methyl]phenyl]methyl-(hydroxymethyl)amino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)-2,5-dimethoxyanilino]methyl]phenyl]methyl-(hydroxymethyl)amino]-2,5-dimethoxyphenyl]prop-2-enoate (PubChem CID 158154710) has the molecular formula C158H172N16O26 and a molecular weight of 2711.20 g/mol. Its IUPAC name is ethyl (E)-2-cyano-3-[4-[2-[4-[4-[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethylanilino]ethoxy]phenyl]phenoxy]ethyl-ethylamino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[3-[2-[3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]propyl]phenyl]propyl-ethylamino]-2-methylphenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)anilino]methyl]phenyl]methyl-(hydroxymethyl)amino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)-2,5-dimethoxyanilino]methyl]phenyl]methyl-(hydroxymethyl)amino]-2,5-dimethoxyphenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-cyano-3-[4-[2-[4-[4-[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethylanilino]ethoxy]phenyl]phenoxy]ethyl-ethylamino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[3-[2-[3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]propyl]phenyl]propyl-ethylamino]-2-methylphenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)anilino]methyl]phenyl]methyl-(hydroxymethyl)amino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)-2,5-dimethoxyanilino]methyl]phenyl]methyl-(hydroxymethyl)amino]-2,5-dimethoxyphenyl]prop-2-enoate
PubChem CID158154710
Molecular FormulaC158H172N16O26
Molecular Weight2711.20 g/mol
Exact Mass2709.26
IUPAC Nameethyl (E)-2-cyano-3-[4-[2-[4-[4-[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethylanilino]ethoxy]phenyl]phenoxy]ethyl-ethylamino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[3-[2-[3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]propyl]phenyl]propyl-ethylamino]-2-methylphenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)anilino]methyl]phenyl]methyl-(hydroxymethyl)amino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)-2,5-dimethoxyanilino]methyl]phenyl]methyl-(hydroxymethyl)amino]-2,5-dimethoxyphenyl]prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/c1cc(OC)c(N(CO)Cc2ccc(CN(CO)c3cc(OC)c(/C=C(\C#N)C(=O)OCC)cc3OC)cc2)cc1OC.CCOC(=O)/C(C#N)=C/c1ccc(N(CC)CCCc2ccccc2CCCN(CC)c2ccc(/C=C(\C#N)C(=O)OCC)c(C)c2)cc1C.CCOC(=O)/C(C#N)=C/c1ccc(N(CC)CCOc2ccc(-c3ccc(OCCN(CC)c4ccc(/C=C(\C#N)C(=O)OCC)cc4)cc3)cc2)cc1.CCOC(=O)/C(C#N)=C/c1ccc(N(CO)Cc2ccc(CN(CO)c3ccc(/C=C(\C#N)C(=O)OCC)cc3)cc2)cc1
InChIInChI=1S/C44H46N4O6.C42H50N4O4.C38H42N4O10.C34H34N4O6/c1-5-47(39-17-9-33(10-18-39)29-37(31-45)43(49)51-7-3)25-27-53-41-21-13-35(14-22-41)36-15-23-42(24-16-36)54-28-26-48(6-2)40-19-11-34(12-20-40)30-38(32-46)44(50)52-8-4;1-7-45(39-21-19-35(31(5)25-39)27-37(29-43)41(47)49-9-3)23-13-17-33-15-11-12-16-34(33)18-14-24-46(8-2)40-22-20-36(32(6)26-40)28-38(30-44)42(48)50-10-4;1-7-51-37(45)29(19-39)13-27-15-35(49-5)31(17-33(27)47-3)41(23-43)21-25-9-11-26(12-10-25)22-42(24-44)32-18-34(48-4)28(16-36(32)50-6)14-30(20-40)38(46)52-8-2;1-3-43-33(41)29(19-35)17-25-9-13-31(14-10-25)37(23-39)21-27-5-7-28(8-6-27)22-38(24-40)32-15-11-26(12-16-32)18-30(20-36)34(42)44-4-2/h9-24,29-30H,5-8,25-28H2,1-4H3;11-12,15-16,19-22,25-28H,7-10,13-14,17-18,23-24H2,1-6H3;9-18,43-44H,7-8,21-24H2,1-6H3;5-18,39-40H,3-4,21-24H2,1-2H3/b37-29+,38-30+;37-27+,38-28+;29-13+,30-14+;29-17+,30-18+
InChIKeyFVNQEUJOTLXAFW-HEPXRWJESA-N
XLogP25.38
TPSA562.94 Ų
H-Bond Donors4
H-Bond Acceptors42
Rotatable Bonds69
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002711.20
LogP ≤ 525.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E)-2-cyano-3-[4-[2-[4-[4-[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethylanilino]ethoxy]phenyl]phenoxy]ethyl-ethylamino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[3-[2-[3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]propyl]phenyl]propyl-ethylamino]-2-methylphenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)anilino]methyl]phenyl]methyl-(hydroxymethyl)amino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)-2,5-dimethoxyanilino]methyl]phenyl]methyl-(hydroxymethyl)amino]-2,5-dimethoxyphenyl]prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-cyano-3-[4-[2-[4-[4-[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethylanilino]ethoxy]phenyl]phenoxy]ethyl-ethylamino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[3-[2-[3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]propyl]phenyl]propyl-ethylamino]-2-methylphenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)anilino]methyl]phenyl]methyl-(hydroxymethyl)amino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)-2,5-dimethoxyanilino]methyl]phenyl]methyl-(hydroxymethyl)amino]-2,5-dimethoxyphenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-2-cyano-3-[4-[2-[4-[4-[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethylanilino]ethoxy]phenyl]phenoxy]ethyl-ethylamino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[3-[2-[3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]propyl]phenyl]propyl-ethylamino]-2-methylphenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)anilino]methyl]phenyl]methyl-(hydroxymethyl)amino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)-2,5-dimethoxyanilino]methyl]phenyl]methyl-(hydroxymethyl)amino]-2,5-dimethoxyphenyl]prop-2-enoate (CID 158154710) is ethyl (E)-2-cyano-3-[4-[2-[4-[4-[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethylanilino]ethoxy]phenyl]phenoxy]ethyl-ethylamino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[3-[2-[3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]propyl]phenyl]propyl-ethylamino]-2-methylphenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)anilino]methyl]phenyl]methyl-(hydroxymethyl)amino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)-2,5-dimethoxyanilino]methyl]phenyl]methyl-(hydroxymethyl)amino]-2,5-dimethoxyphenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-2-cyano-3-[4-[2-[4-[4-[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethylanilino]ethoxy]phenyl]phenoxy]ethyl-ethylamino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[3-[2-[3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]propyl]phenyl]propyl-ethylamino]-2-methylphenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)anilino]methyl]phenyl]methyl-(hydroxymethyl)amino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)-2,5-dimethoxyanilino]methyl]phenyl]methyl-(hydroxymethyl)amino]-2,5-dimethoxyphenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-2-cyano-3-[4-[2-[4-[4-[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethylanilino]ethoxy]phenyl]phenoxy]ethyl-ethylamino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[3-[2-[3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]propyl]phenyl]propyl-ethylamino]-2-methylphenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)anilino]methyl]phenyl]methyl-(hydroxymethyl)amino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)-2,5-dimethoxyanilino]methyl]phenyl]methyl-(hydroxymethyl)amino]-2,5-dimethoxyphenyl]prop-2-enoate is CCOC(=O)/C(C#N)=C/c1cc(OC)c(N(CO)Cc2ccc(CN(CO)c3cc(OC)c(/C=C(\C#N)C(=O)OCC)cc3OC)cc2)cc1OC.CCOC(=O)/C(C#N)=C/c1ccc(N(CC)CCCc2ccccc2CCCN(CC)c2ccc(/C=C(\C#N)C(=O)OCC)c(C)c2)cc1C.CCOC(=O)/C(C#N)=C/c1ccc(N(CC)CCOc2ccc(-c3ccc(OCCN(CC)c4ccc(/C=C(\C#N)C(=O)OCC)cc4)cc3)cc2)cc1.CCOC(=O)/C(C#N)=C/c1ccc(N(CO)Cc2ccc(CN(CO)c3ccc(/C=C(\C#N)C(=O)OCC)cc3)cc2)cc1.
What is the InChIKey of ethyl (E)-2-cyano-3-[4-[2-[4-[4-[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethylanilino]ethoxy]phenyl]phenoxy]ethyl-ethylamino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[3-[2-[3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]propyl]phenyl]propyl-ethylamino]-2-methylphenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)anilino]methyl]phenyl]methyl-(hydroxymethyl)amino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)-2,5-dimethoxyanilino]methyl]phenyl]methyl-(hydroxymethyl)amino]-2,5-dimethoxyphenyl]prop-2-enoate?
The InChIKey is FVNQEUJOTLXAFW-HEPXRWJESA-N. The full InChI is InChI=1S/C44H46N4O6.C42H50N4O4.C38H42N4O10.C34H34N4O6/c1-5-47(39-17-9-33(10-18-39)29-37(31-45)43(49)51-7-3)25-27-53-41-21-13-35(14-22-41)36-15-23-42(24-16-36)54-28-26-48(6-2)40-19-11-34(12-20-40)30-38(32-46)44(50)52-8-4;1-7-45(39-21-19-35(31(5)25-39)27-37(29-43)41(47)49-9-3)23-13-17-33-15-11-12-16-34(33)18-14-24-46(8-2)40-22-20-36(32(6)26-40)28-38(30-44)42(48)50-10-4;1-7-51-37(45)29(19-39)13-27-15-35(49-5)31(17-33(27)47-3)41(23-43)21-25-9-11-26(12-10-25)22-42(24-44)32-18-34(48-4)28(16-36(32)50-6)14-30(20-40)38(46)52-8-2;1-3-43-33(41)29(19-35)17-25-9-13-31(14-10-25)37(23-39)21-27-5-7-28(8-6-27)22-38(24-40)32-15-11-26(12-16-32)18-30(20-36)34(42)44-4-2/h9-24,29-30H,5-8,25-28H2,1-4H3;11-12,15-16,19-22,25-28H,7-10,13-14,17-18,23-24H2,1-6H3;9-18,43-44H,7-8,21-24H2,1-6H3;5-18,39-40H,3-4,21-24H2,1-2H3/b37-29+,38-30+;37-27+,38-28+;29-13+,30-14+;29-17+,30-18+.
What are the key properties of ethyl (E)-2-cyano-3-[4-[2-[4-[4-[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethylanilino]ethoxy]phenyl]phenoxy]ethyl-ethylamino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[3-[2-[3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]propyl]phenyl]propyl-ethylamino]-2-methylphenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)anilino]methyl]phenyl]methyl-(hydroxymethyl)amino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)-2,5-dimethoxyanilino]methyl]phenyl]methyl-(hydroxymethyl)amino]-2,5-dimethoxyphenyl]prop-2-enoate?
ethyl (E)-2-cyano-3-[4-[2-[4-[4-[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethylanilino]ethoxy]phenyl]phenoxy]ethyl-ethylamino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[3-[2-[3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]propyl]phenyl]propyl-ethylamino]-2-methylphenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)anilino]methyl]phenyl]methyl-(hydroxymethyl)amino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)-2,5-dimethoxyanilino]methyl]phenyl]methyl-(hydroxymethyl)amino]-2,5-dimethoxyphenyl]prop-2-enoate has a molecular weight of 2711.20 g/mol, XLogP of 25.38, 69 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-cyano-3-[4-[2-[4-[4-[2-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethylanilino]ethoxy]phenyl]phenoxy]ethyl-ethylamino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[3-[2-[3-[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]propyl]phenyl]propyl-ethylamino]-2-methylphenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)anilino]methyl]phenyl]methyl-(hydroxymethyl)amino]phenyl]prop-2-enoate;ethyl (E)-2-cyano-3-[4-[[4-[[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-(hydroxymethyl)-2,5-dimethoxyanilino]methyl]phenyl]methyl-(hydroxymethyl)amino]-2,5-dimethoxyphenyl]prop-2-enoate is sourced from PubChem (CID 158154710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).