methyl 3-[[2-[4-(aminomethyl)phenyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-[4-(aminomethyl)phenyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-[4-(aminomethyl)phenyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-[4-(aminomethyl)phenyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(aminomethyl)phenyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-[4-(aminomethyl)phenyl]-1-homoveratryl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C29H32N4O5 MolecularWeight: 516.58818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)OC)N=C2C4=CC=C(C=C4)CN)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)OC)N=C2C4=CC=C(C=C4)CN)OC

InChI

InChI=1S/C29H32N4O5/c1-36-25-11-6-19(16-26(25)37-2)13-15-33-24-10-9-22(29(35)31-14-12-27(34)38-3)17-23(24)32-28(33)21-7-4-20(18-30)5-8-21/h4-11,16-17H,12-15,18,30H2,1-3H3,(H,31,35)