phenacyl 6-bromanyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: phenacyl 6-bromanyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: phenacyl 6-bromo-3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-3-methyl-2-(p-tolyl)cinchoninic acid phenacyl ester Formula: C26H20BrNO3 MolecularWeight: 474.3459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20BrNO3/c1-16-8-10-19(11-9-16)25-17(2)24(21-14-20(27)12-13-22(21)28-25)26(30)31-15-23(29)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3