[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-(4-benzylpiperidino)-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)N2CCC(CC2)CC3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)Cl)C

InChI

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