(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C28H21NO4 MolecularWeight: 435.47064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)C

InChI

InChI=1S/C28H21NO4/c1-17-7-10-19(11-8-17)25-15-23(22-5-3-4-6-24(22)29-25)28(31)32-16-20-14-27(30)33-26-13-18(2)9-12-21(20)26/h3-15H,16H2,1-2H3