[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C22H23N3O4/c1-2-28-19-6-4-17(5-7-19)20(26)15-29-22(27)18-9-11-25(12-10-18)21-8-3-16(13-23)14-24-21/h3-8,14,18H,2,9-12,15H2,1H3