[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate

Systemtic Name: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate Openeye Name: [2-(2,4-dimethylanilino)-2-oxo-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate CAS Name: 3-(1-phenyl-2-benzimidazolyl)propanoic acid [2-(2,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylanilino)-2-oxoethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-phenylbenzimidazol-2-yl)propionic acid [2-(2,4-dimethylanilino)-2-keto-ethyl] ester Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3N2C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3N2C4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O3/c1-18-12-13-21(19(2)16-18)28-25(30)17-32-26(31)15-14-24-27-22-10-6-7-11-23(22)29(24)20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,28,30)