[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate CAS Name: 3-(1-phenyl-2-benzimidazolyl)propanoic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-phenylbenzimidazol-2-yl)propionic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C28H29N3O3 MolecularWeight: 455.54816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3/c1-28(2,3)20-13-15-21(16-14-20)29-26(32)19-34-27(33)18-17-25-30-23-11-7-8-12-24(23)31(25)22-9-5-4-6-10-22/h4-16H,17-19H2,1-3H3,(H,29,32)