phenacyl 8-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylate

Systemtic Name: phenacyl 8-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylate Openeye Name: phenacyl 8-methyl-2-[4-(p-tolyl)phenyl]quinoline-4-carboxylate CAS Name: 8-methyl-2-[4-(4-methylphenyl)phenyl]-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 8-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylate Traditional Name: 8-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=CC=C4C)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=CC=C4C)C(=C3)C(=O)OCC(=O)C5=CC=CC=C5

InChI

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