methyl 4-[[1-(4-cyanophenyl)piperidin-4-yl]carbonyl-(3-phenylpropyl)amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[1-(4-cyanophenyl)piperidin-4-yl]carbonyl-(3-phenylpropyl)amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[1-(4-cyanophenyl)piperidine-4-carbonyl]-(3-phenylpropyl)amino]cyclohexanecarboxylate CAS Name: 4-[[[1-(4-cyanophenyl)-4-piperidinyl]-oxomethyl]-(3-phenylpropyl)amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-(4-cyanophenyl)piperidine-4-carbonyl]-(3-phenylpropyl)amino]cyclohexane-1-carboxylate Traditional Name: 4-[[1-(4-cyanophenyl)isonipecotoyl]-(3-phenylpropyl)amino]cyclohexanecarboxylic acid methyl ester Formula: C30H37N3O3 MolecularWeight: 487.63308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)N(CCCC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)C1CCC(CC1)N(CCCC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C30H37N3O3/c1-36-30(35)26-11-15-28(16-12-26)33(19-5-8-23-6-3-2-4-7-23)29(34)25-17-20-32(21-18-25)27-13-9-24(22-31)10-14-27/h2-4,6-7,9-10,13-14,25-26,28H,5,8,11-12,15-21H2,1H3