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

Systemtic Name: methyl 4-[[1-(4-cyanophenyl)piperidin-4-yl]methyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[1-(4-cyanophenyl)-4-piperidyl]methyl-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[1-(4-cyanophenyl)-4-piperidinyl]methyl-methylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-(4-cyanophenyl)piperidin-4-yl]methyl-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[1-(4-cyanophenyl)-4-piperidyl]methyl-methyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCN(CC1)C2=CC=C(C=C2)C#N)C3CCC(CC3)C(=O)OC

Isomeric SMILES

CN(CC1CCN(CC1)C2=CC=C(C=C2)C#N)C3CCC(CC3)C(=O)OC

InChI

InChI=1S/C22H31N3O2/c1-24(20-9-5-19(6-10-20)22(26)27-2)16-18-11-13-25(14-12-18)21-7-3-17(15-23)4-8-21/h3-4,7-8,18-20H,5-6,9-14,16H2,1-2H3