methyl 3-[4-(1H-benzimidazol-2-yl)butanoylamino]-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-[4-(1H-benzimidazol-2-yl)butanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[4-(1H-benzimidazol-2-yl)butanoylamino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[4-(1H-benzimidazol-2-yl)-1-oxobutyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[4-(1H-benzimidazol-2-yl)butanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[4-(1H-benzimidazol-2-yl)butanoylamino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CCCC2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CCCC2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C23H27N3O5/c1-29-19-12-11-15(13-20(19)30-2)18(14-23(28)31-3)26-22(27)10-6-9-21-24-16-7-4-5-8-17(16)25-21/h4-5,7-8,11-13,18H,6,9-10,14H2,1-3H3,(H,24,25)(H,26,27)