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

Systemtic Name: ethyl (3S)-1-[(E)-3-(2-methoxyphenyl)-2-(2-oxidanylidenepyridin-1-yl)prop-2-enoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridyl)prop-2-enoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(E)-3-(2-methoxyphenyl)-1-oxo-2-(2-oxo-1-pyridinyl)prop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(E)-3-(2-methoxyphenyl)-2-(2-oxopyridin-1-yl)prop-2-enoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(E)-2-(2-keto-1-pyridyl)-3-(2-methoxyphenyl)acryloyl]nipecotic acid ethyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(=CC2=CC=CC=C2OC)N3C=CC=CC3=O

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)/C(=C\C2=CC=CC=C2OC)/N3C=CC=CC3=O

InChI

InChI=1S/C23H26N2O5/c1-3-30-23(28)18-10-8-13-24(16-18)22(27)19(25-14-7-6-12-21(25)26)15-17-9-4-5-11-20(17)29-2/h4-7,9,11-12,14-15,18H,3,8,10,13,16H2,1-2H3/b19-15+/t18-/m0/s1