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

Systemtic Name: methyl 3-[2-(benzimidazol-1-yl)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[2-(benzimidazol-1-yl)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[2-(1-benzimidazolyl)-1-oxopropyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[2-(benzimidazol-1-yl)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[2-(benzimidazol-1-yl)propanoylamino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)OC)C1=CC(=C(C=C1)OC)OC)N2C=NC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)NC(CC(=O)OC)C1=CC(=C(C=C1)OC)OC)N2C=NC3=CC=CC=C32

InChI

InChI=1S/C22H25N3O5/c1-14(25-13-23-16-7-5-6-8-18(16)25)22(27)24-17(12-21(26)30-4)15-9-10-19(28-2)20(11-15)29-3/h5-11,13-14,17H,12H2,1-4H3,(H,24,27)