ethyl (3S)-1-[(E)-3-(4-dimethylaminophenyl)-2-(2-oxidanylidenepyridin-1-yl)prop-2-enoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(E)-3-(4-dimethylaminophenyl)-2-(2-oxidanylidenepyridin-1-yl)prop-2-enoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(E)-3-(4-dimethylaminophenyl)-2-(2-oxo-1-pyridyl)prop-2-enoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(E)-3-(4-dimethylaminophenyl)-1-oxo-2-(2-oxo-1-pyridinyl)prop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(E)-3-(4-dimethylaminophenyl)-2-(2-oxopyridin-1-yl)prop-2-enoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(E)-3-(4-dimethylaminophenyl)-2-(2-keto-1-pyridyl)acryloyl]nipecotic acid ethyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-4-31-24(30)19-8-7-14-26(17-19)23(29)21(27-15-6-5-9-22(27)28)16-18-10-12-20(13-11-18)25(2)3/h5-6,9-13,15-16,19H,4,7-8,14,17H2,1-3H3/b21-16+/t19-/m0/s1