ethyl (3S)-1-[(2S)-3-(4-bromophenyl)-3-oxidanylidene-2-(2-oxidanylidenepyridin-1-yl)propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-3-(4-bromophenyl)-3-oxidanylidene-2-(2-oxidanylidenepyridin-1-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(2S)-3-(4-bromophenyl)-3-oxo-2-(2-oxo-1-pyridyl)propanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2S)-3-(4-bromophenyl)-1,3-dioxo-2-(2-oxo-1-pyridinyl)propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-3-(4-bromophenyl)-3-oxo-2-(2-oxopyridin-1-yl)propanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2S)-3-(4-bromophenyl)-3-keto-2-(2-keto-1-pyridyl)propanoyl]nipecotic acid ethyl ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O5/c1-2-30-22(29)16-6-5-12-24(14-16)21(28)19(25-13-4-3-7-18(25)26)20(27)15-8-10-17(23)11-9-15/h3-4,7-11,13,16,19H,2,5-6,12,14H2,1H3/t16-,19-/m0/s1