(3,3-dimethyl-2-oxidanylidene-butyl) 8-chloranyl-2-(3-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 8-chloranyl-2-(3-methoxyphenyl)quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 8-chloro-2-(3-methoxyphenyl)quinoline-4-carboxylate CAS Name: 8-chloro-2-(3-methoxyphenyl)-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 8-chloro-2-(3-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 8-chloro-2-(3-methoxyphenyl)cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H22ClNO4 MolecularWeight: 411.87808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=C1C=CC=C2Cl)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=C1C=CC=C2Cl)C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H22ClNO4/c1-23(2,3)20(26)13-29-22(27)17-12-19(14-7-5-8-15(11-14)28-4)25-21-16(17)9-6-10-18(21)24/h5-12H,13H2,1-4H3