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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)C2=CC=C(C=C2)C#N)C(=O)C3CCC(CC3)C(=O)OC

Isomeric SMILES

CN(C1CCN(CC1)C2=CC=C(C=C2)C#N)C(=O)C3CCC(CC3)C(=O)OC

InChI

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