(3,3-dimethyl-2-oxidanylidene-butyl) 7-chloranyl-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 7-chloranyl-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 7-chloro-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 7-chloro-2-(3-methoxyphenyl)-8-methyl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 7-chloro-2-(3-methoxyphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 7-chloro-2-(3-methoxyphenyl)-8-methyl-cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H24ClNO4 MolecularWeight: 425.90466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)OCC(=O)C(C)(C)C)C3=CC(=CC=C3)OC)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)OCC(=O)C(C)(C)C)C3=CC(=CC=C3)OC)Cl

InChI

InChI=1S/C24H24ClNO4/c1-14-19(25)10-9-17-18(23(28)30-13-21(27)24(2,3)4)12-20(26-22(14)17)15-7-6-8-16(11-15)29-5/h6-12H,13H2,1-5H3