phenacyl 2-(4-bromophenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 2-(4-bromophenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: phenacyl 2-(4-bromophenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-6-methyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-6-methyl-cinchoninic acid phenacyl ester Formula: C25H18BrNO3 MolecularWeight: 460.31932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

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