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

Systemtic Name: [1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-keto-1-methyl-2-(p-phenetidino)ethyl] ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4/c1-3-30-20-7-5-19(6-8-20)26-22(28)16(2)31-23(29)18-10-12-27(13-11-18)21-9-4-17(14-24)15-25-21/h4-9,15-16,18H,3,10-13H2,1-2H3,(H,26,28)