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

Systemtic Name: methyl 4-[[1-(4-cyanophenyl)piperidin-4-yl]carbonyl-phenethyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[1-(4-cyanophenyl)piperidine-4-carbonyl]-phenethyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[1-(4-cyanophenyl)-4-piperidinyl]-oxomethyl]-phenethylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-(4-cyanophenyl)piperidine-4-carbonyl]-phenethylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[1-(4-cyanophenyl)isonipecotoyl]-phenethyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C29H35N3O3 MolecularWeight: 473.6065

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)C1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H35N3O3/c1-35-29(34)25-9-13-27(14-10-25)32(20-15-22-5-3-2-4-6-22)28(33)24-16-18-31(19-17-24)26-11-7-23(21-30)8-12-26/h2-8,11-12,24-25,27H,9-10,13-20H2,1H3