ethyl (3S)-1-[(2S)-3-oxidanylidene-2-(2-oxidanylidenepyridin-1-yl)-3-phenyl-propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-3-oxidanylidene-2-(2-oxidanylidenepyridin-1-yl)-3-phenyl-propanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(2S)-3-oxo-2-(2-oxo-1-pyridyl)-3-phenyl-propanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2S)-1,3-dioxo-2-(2-oxo-1-pyridinyl)-3-phenylpropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-3-oxo-2-(2-oxopyridin-1-yl)-3-phenylpropanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2S)-3-keto-2-(2-keto-1-pyridyl)-3-phenyl-propanoyl]nipecotic acid ethyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(C(=O)C2=CC=CC=C2)N3C=CC=CC3=O

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H](C(=O)C2=CC=CC=C2)N3C=CC=CC3=O

InChI

InChI=1S/C22H24N2O5/c1-2-29-22(28)17-11-8-13-23(15-17)21(27)19(24-14-7-6-12-18(24)25)20(26)16-9-4-3-5-10-16/h3-7,9-10,12,14,17,19H,2,8,11,13,15H2,1H3/t17-,19-/m0/s1