phenacyl 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: phenacyl 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: phenacyl 3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3-methyl-2-(p-tolyl)cinchoninic acid phenacyl ester Formula: C26H21NO3 MolecularWeight: 395.44984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H21NO3/c1-17-12-14-20(15-13-17)25-18(2)24(21-10-6-7-11-22(21)27-25)26(29)30-16-23(28)19-8-4-3-5-9-19/h3-15H,16H2,1-2H3