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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 7-chloranyl-2-(4-methoxyphenyl)-3,8-dimethyl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 7-chloro-2-(4-methoxyphenyl)-3,8-dimethyl-quinoline-4-carboxylate CAS Name: 7-chloro-2-(4-methoxyphenyl)-3,8-dimethyl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 7-chloro-2-(4-methoxyphenyl)-3,8-dimethylquinoline-4-carboxylate Traditional Name: 7-chloro-2-(4-methoxyphenyl)-3,8-dimethyl-cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H26ClNO4 MolecularWeight: 439.93124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C(C(=C(N=C12)C3=CC=C(C=C3)OC)C)C(=O)OCC(=O)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=CC2=C(C(=C(N=C12)C3=CC=C(C=C3)OC)C)C(=O)OCC(=O)C(C)(C)C)Cl

InChI

InChI=1S/C25H26ClNO4/c1-14-19(26)12-11-18-21(24(29)31-13-20(28)25(3,4)5)15(2)22(27-23(14)18)16-7-9-17(30-6)10-8-16/h7-12H,13H2,1-6H3