[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate CAS Name: 3-(1-phenyl-2-benzimidazolyl)propanoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-phenylbenzimidazol-2-yl)propionic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CCC2=NC3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CCC2=NC3=CC=CC=C3N2C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c1-19(2)21-12-6-7-13-22(21)29-26(31)18-33-27(32)17-16-25-28-23-14-8-9-15-24(23)30(25)20-10-4-3-5-11-20/h3-15,19H,16-18H2,1-2H3,(H,29,31)