4-[[(2-cyanophenyl)-piperidin-4-yl-amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(2-cyanophenyl)-piperidin-4-yl-amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-cyano-N-(4-piperidyl)anilino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[2-cyano-N-(4-piperidinyl)anilino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(2-cyano-N-piperidin-4-ylanilino)methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-cyano-N-(4-piperidyl)anilino]methyl]cyclohexanecarboxylic acid Formula: C20H27N3O2 MolecularWeight: 341.44728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN(C2CCNCC2)C3=CC=CC=C3C#N)C(=O)O

Isomeric SMILES

C1CC(CCC1CN(C2CCNCC2)C3=CC=CC=C3C#N)C(=O)O

InChI

InChI=1S/C20H27N3O2/c21-13-17-3-1-2-4-19(17)23(18-9-11-22-12-10-18)14-15-5-7-16(8-6-15)20(24)25/h1-4,15-16,18,22H,5-12,14H2,(H,24,25)