methyl 4-phenyl-1-(3-pyridin-2-ylpropyl)piperidine-4-carboxylate

Systemtic Name: methyl 4-phenyl-1-(3-pyridin-2-ylpropyl)piperidine-4-carboxylate Openeye Name: methyl 4-phenyl-1-[3-(2-pyridyl)propyl]piperidine-4-carboxylate CAS Name: 4-phenyl-1-[3-(2-pyridinyl)propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-1-(3-pyridin-2-ylpropyl)piperidine-4-carboxylate Traditional Name: 4-phenyl-1-[3-(2-pyridyl)propyl]isonipecotic acid methyl ester Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)CCCC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCN(CC1)CCCC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-25-20(24)21(18-8-3-2-4-9-18)12-16-23(17-13-21)15-7-11-19-10-5-6-14-22-19/h2-6,8-10,14H,7,11-13,15-17H2,1H3