[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C21H22ClN3O4/c1-14-5-2-3-6-16(14)20(27)25-11-8-15(9-12-25)21(28)29-13-18(26)24-17-7-4-10-23-19(17)22/h2-7,10,15H,8-9,11-13H2,1H3,(H,24,26)