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

Systemtic Name: methyl 4-[[1-(4-cyanophenyl)piperidin-4-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[1-(4-cyanophenyl)piperidine-4-carbonyl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[1-(4-cyanophenyl)-4-piperidinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-(4-cyanophenyl)piperidine-4-carbonyl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[1-(4-cyanophenyl)isonipecotoyl]-methyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)OC)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(C1CCC(CC1)C(=O)OC)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H29N3O3/c1-24(19-9-5-18(6-10-19)22(27)28-2)21(26)17-11-13-25(14-12-17)20-7-3-16(15-23)4-8-20/h3-4,7-8,17-19H,5-6,9-14H2,1-2H3