ethyl (3S,5S)-5-(6-methoxypyridin-2-yl)-2-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S,5S)-5-(6-methoxypyridin-2-yl)-2-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S,5S)-1-benzyl-5-(6-methoxy-2-pyridyl)-2-oxo-piperidine-3-carboxylate CAS Name: (3S,5S)-5-(6-methoxy-2-pyridinyl)-2-oxo-1-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,5S)-1-benzyl-5-(6-methoxypyridin-2-yl)-2-oxopiperidine-3-carboxylate Traditional Name: (3S,5S)-1-benzyl-2-keto-5-(6-methoxy-2-pyridyl)nipecotic acid ethyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(CN(C1=O)CC2=CC=CC=C2)C3=NC(=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-3-27-21(25)17-12-16(18-10-7-11-19(22-18)26-2)14-23(20(17)24)13-15-8-5-4-6-9-15/h4-11,16-17H,3,12-14H2,1-2H3/t16-,17-/m0/s1