ethyl 1-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-3-carboxylate CAS Name: 1-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-3-carboxylate Traditional Name: 1-[6-anilino-3-(cyclohexylmethyl)-2-keto-1H-benzimidazol-5-yl]nipecotic acid ethyl ester Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=C3C(=C2)N(C(=O)N3)CC4CCCCC4)NC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=C3C(=C2)N(C(=O)N3)CC4CCCCC4)NC5=CC=CC=C5

InChI

InChI=1S/C28H36N4O3/c1-2-35-27(33)21-12-9-15-31(19-21)25-17-26-24(16-23(25)29-22-13-7-4-8-14-22)30-28(34)32(26)18-20-10-5-3-6-11-20/h4,7-8,13-14,16-17,20-21,29H,2-3,5-6,9-12,15,18-19H2,1H3,(H,30,34)