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

Systemtic Name: phenacyl 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: phenacyl 6-bromo-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methylphenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-bromo-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(p-tolyl)cinchoninic acid phenacyl ester Formula: C25H18BrNO3 MolecularWeight: 460.31932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H18BrNO3/c1-16-7-9-17(10-8-16)23-14-21(20-13-19(26)11-12-22(20)27-23)25(29)30-15-24(28)18-5-3-2-4-6-18/h2-14H,15H2,1H3