ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(4-pyridylmethyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate Traditional Name: (3S)-3-m-anisyl-1-(4-pyridylmethyl)nipecotic acid ethyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CC=NC=C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CC2=CC=NC=C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H28N2O3/c1-3-27-21(25)22(15-19-6-4-7-20(14-19)26-2)10-5-13-24(17-22)16-18-8-11-23-12-9-18/h4,6-9,11-12,14H,3,5,10,13,15-17H2,1-2H3/t22-/m0/s1