[2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-[2-(3-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)NCCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)NCCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H21ClN2O3/c1-14-18-8-3-4-9-19(18)25-15(2)21(14)22(27)28-13-20(26)24-11-10-16-6-5-7-17(23)12-16/h3-9,12H,10-11,13H2,1-2H3,(H,24,26)