[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate CAS Name: 3-(1-phenyl-2-benzimidazolyl)propanoic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-phenylbenzimidazol-2-yl)propionic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CCC3=NC4=CC=CC=C4N3C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CCC3=NC4=CC=CC=C4N3C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O3/c34-28(30-22-13-15-23(16-14-22)32-19-7-2-8-20-32)21-36-29(35)18-17-27-31-25-11-5-6-12-26(25)33(27)24-9-3-1-4-10-24/h1,3-6,9-16H,2,7-8,17-21H2,(H,30,34)