[1-(2-methylphenoxy)-3-piperidin-1-yl-propan-2-yl] pyridine-3-carboxylate

Systemtic Name: [1-(2-methylphenoxy)-3-piperidin-1-yl-propan-2-yl] pyridine-3-carboxylate Openeye Name: [1-[(2-methylphenoxy)methyl]-2-(1-piperidyl)ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-(2-methylphenoxy)-3-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [1-[(2-methylphenoxy)methyl]-2-piperidino-ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2CCCCC2)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2CCCCC2)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H26N2O3/c1-17-8-3-4-10-20(17)25-16-19(15-23-12-5-2-6-13-23)26-21(24)18-9-7-11-22-14-18/h3-4,7-11,14,19H,2,5-6,12-13,15-16H2,1H3