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

Systemtic Name: methyl 4-[[1-(4-cyanophenyl)piperidin-4-yl]carbonyl-pentyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[1-(4-cyanophenyl)piperidine-4-carbonyl]-pentyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[1-(4-cyanophenyl)-4-piperidinyl]-oxomethyl]-pentylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-(4-cyanophenyl)piperidine-4-carbonyl]-pentylamino]cyclohexane-1-carboxylate Traditional Name: 4-[amyl-[1-(4-cyanophenyl)isonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C26H37N3O3 MolecularWeight: 439.59028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O3/c1-3-4-5-16-29(24-12-8-22(9-13-24)26(31)32-2)25(30)21-14-17-28(18-15-21)23-10-6-20(19-27)7-11-23/h6-7,10-11,21-22,24H,3-5,8-9,12-18H2,1-2H3