methyl 4-[[1-(4-cyanophenyl)piperidin-4-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[1-(4-cyanophenyl)piperidin-4-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[benzyl-[1-(4-cyanophenyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[1-(4-cyanophenyl)-4-piperidinyl]-oxomethyl]-(phenylmethyl)amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[benzyl-[1-(4-cyanophenyl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[benzyl-[1-(4-cyanophenyl)isonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H33N3O3/c1-34-28(33)24-9-13-26(14-10-24)31(20-22-5-3-2-4-6-22)27(32)23-15-17-30(18-16-23)25-11-7-21(19-29)8-12-25/h2-8,11-12,23-24,26H,9-10,13-18,20H2,1H3