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

Systemtic Name: ethyl 1-[(E)-3-(4-fluorophenyl)-2-(2-oxidanylidenepyridin-1-yl)prop-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(E)-3-(4-fluorophenyl)-2-(2-oxo-1-pyridyl)prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(4-fluorophenyl)-1-oxo-2-(2-oxo-1-pyridinyl)prop-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(4-fluorophenyl)-2-(2-oxopyridin-1-yl)prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(4-fluorophenyl)-2-(2-keto-1-pyridyl)acryloyl]isonipecotic acid ethyl ester Formula: C22H23FN2O4 MolecularWeight: 398.427423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(=CC2=CC=C(C=C2)F)N3C=CC=CC3=O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)/C(=C\C2=CC=C(C=C2)F)/N3C=CC=CC3=O

InChI

InChI=1S/C22H23FN2O4/c1-2-29-22(28)17-10-13-24(14-11-17)21(27)19(25-12-4-3-5-20(25)26)15-16-6-8-18(23)9-7-16/h3-9,12,15,17H,2,10-11,13-14H2,1H3/b19-15+