[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate CAS Name: 3-(1-phenyl-2-benzimidazolyl)propanoic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-phenylbenzimidazol-2-yl)propionic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3N2C4=CC=CC=C4

InChI

InChI=1S/C25H22ClN3O3/c1-17-19(26)10-7-12-20(17)28-24(30)16-32-25(31)15-14-23-27-21-11-5-6-13-22(21)29(23)18-8-3-2-4-9-18/h2-13H,14-16H2,1H3,(H,28,30)