ethyl (3S)-1-[(Z)-3-(3-bromophenyl)-2-(2-oxidanylidenepyridin-1-yl)prop-2-enoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(Z)-3-(3-bromophenyl)-2-(2-oxidanylidenepyridin-1-yl)prop-2-enoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(Z)-3-(3-bromophenyl)-2-(2-oxo-1-pyridyl)prop-2-enoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(Z)-3-(3-bromophenyl)-1-oxo-2-(2-oxo-1-pyridinyl)prop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(Z)-3-(3-bromophenyl)-2-(2-oxopyridin-1-yl)prop-2-enoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(Z)-3-(3-bromophenyl)-2-(2-keto-1-pyridyl)acryloyl]nipecotic acid ethyl ester Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(=CC2=CC(=CC=C2)Br)N3C=CC=CC3=O

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O4/c1-2-29-22(28)17-8-6-11-24(15-17)21(27)19(25-12-4-3-10-20(25)26)14-16-7-5-9-18(23)13-16/h3-5,7,9-10,12-14,17H,2,6,8,11,15H2,1H3/b19-14-/t17-/m0/s1