(3,3-dimethyl-2-oxidanylidene-butyl) 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3,6-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3,6-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3,6-dimethyl-2-(p-tolyl)cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H27NO3 MolecularWeight: 389.48678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)OCC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)OCC(=O)C(C)(C)C)C

InChI

InChI=1S/C25H27NO3/c1-15-7-10-18(11-8-15)23-17(3)22(19-13-16(2)9-12-20(19)26-23)24(28)29-14-21(27)25(4,5)6/h7-13H,14H2,1-6H3