quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: 8-quinolyl 6,8-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6,8-dimethyl-2-(p-tolyl)cinchoninic acid 8-quinolyl ester Formula: C28H22N2O2 MolecularWeight: 418.48648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)OC4=CC=CC5=C4N=CC=C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)OC4=CC=CC5=C4N=CC=C5)C)C

InChI

InChI=1S/C28H22N2O2/c1-17-9-11-20(12-10-17)24-16-23(22-15-18(2)14-19(3)26(22)30-24)28(31)32-25-8-4-6-21-7-5-13-29-27(21)25/h4-16H,1-3H3