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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)NCCCC2=CC=CC=C2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)NCCCC2=CC=CC=C2)Cl)C

InChI

InChI=1S/C19H21ClN2O3/c1-13-11-14(2)22-18(20)17(13)19(24)25-12-16(23)21-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H,21,23)