3-oxidanylidenebutan-2-yl 2-(2-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid (2-keto-1-methyl-propyl) ester Formula: C20H16ClNO3 MolecularWeight: 353.79894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H16ClNO3/c1-12(23)13(2)25-20(24)16-11-19(15-8-3-5-9-17(15)21)22-18-10-6-4-7-14(16)18/h3-11,13H,1-2H3