naphthalen-1-yl 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: naphthalen-1-yl 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: 1-naphthyl 6-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid 1-naphthalenyl ester IUPAC Name: naphthalen-1-yl 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-methyl-2-(p-tolyl)cinchoninic acid 1-naphthyl ester Formula: C28H21NO2 MolecularWeight: 403.47184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H21NO2/c1-18-10-13-21(14-11-18)26-17-24(23-16-19(2)12-15-25(23)29-26)28(30)31-27-9-5-7-20-6-3-4-8-22(20)27/h3-17H,1-2H3