[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-(N-cyclohexylanilino)-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-(N-cyclohexylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-cyclohexylanilino)-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-(N-cyclohexylanilino)-2-keto-ethyl] ester Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)N(C2CCCCC2)C3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)N(C2CCCCC2)C3=CC=CC=C3)Cl)C

InChI

InChI=1S/C22H25ClN2O3/c1-15-13-16(2)24-21(23)20(15)22(27)28-14-19(26)25(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3,5-6,9-10,13,18H,4,7-8,11-12,14H2,1-2H3