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

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-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=C(C=C3)Cl

Isomeric SMILES

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

InChI

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