methyl 1-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxylate CAS Name: 1-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]piperidine-4-carboxylate Traditional Name: 1-[6-anilino-3-(cyclohexylmethyl)-2-keto-1H-benzimidazol-5-yl]isonipecotic acid methyl ester Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3)CC4CCCCC4)NC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3)CC4CCCCC4)NC5=CC=CC=C5

InChI

InChI=1S/C27H34N4O3/c1-34-26(32)20-12-14-30(15-13-20)24-17-25-23(16-22(24)28-21-10-6-3-7-11-21)29-27(33)31(25)18-19-8-4-2-5-9-19/h3,6-7,10-11,16-17,19-20,28H,2,4-5,8-9,12-15,18H2,1H3,(H,29,33)