phenacyl 6-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylate

Systemtic Name: phenacyl 6-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylate Openeye Name: phenacyl 6-methyl-2-[4-(p-tolyl)phenyl]quinoline-4-carboxylate CAS Name: 6-methyl-2-[4-(4-methylphenyl)phenyl]-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylate Traditional Name: 6-methyl-2-[4-(p-tolyl)phenyl]cinchoninic acid phenacyl ester Formula: C32H25NO3 MolecularWeight: 471.5458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)OCC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)OCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H25NO3/c1-21-8-11-23(12-9-21)24-13-15-25(16-14-24)30-19-28(27-18-22(2)10-17-29(27)33-30)32(35)36-20-31(34)26-6-4-3-5-7-26/h3-19H,20H2,1-2H3