[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H21ClN4O4/c1-29-18-4-3-16(10-17(18)22)25-20(27)13-30-21(28)15-6-8-26(9-7-15)19-5-2-14(11-23)12-24-19/h2-5,10,12,15H,6-9,13H2,1H3,(H,25,27)