ethyl (3S)-3-(phenylmethyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-(phenylmethyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-[1-(2-pyridylmethyl)-4-piperidyl]piperidine-3-carboxylate CAS Name: (3S)-3-(phenylmethyl)-1-[1-(2-pyridinylmethyl)-4-piperidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-3-benzyl-1-[1-(2-pyridylmethyl)-4-piperidyl]nipecotic acid ethyl ester Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C2CCN(CC2)CC3=CC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C2CCN(CC2)CC3=CC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C26H35N3O2/c1-2-31-25(30)26(19-22-9-4-3-5-10-22)14-8-16-29(21-26)24-12-17-28(18-13-24)20-23-11-6-7-15-27-23/h3-7,9-11,15,24H,2,8,12-14,16-21H2,1H3/t26-/m0/s1