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

Systemtic Name: phenacyl 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: phenacyl 3,6-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3,6-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3,6-dimethyl-2-(p-tolyl)cinchoninic acid phenacyl ester Formula: C27H23NO3 MolecularWeight: 409.47642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)OCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)OCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H23NO3/c1-17-9-12-21(13-10-17)26-19(3)25(22-15-18(2)11-14-23(22)28-26)27(30)31-16-24(29)20-7-5-4-6-8-20/h4-15H,16H2,1-3H3