phenacyl 6-bromanyl-3,7,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: phenacyl 6-bromanyl-3,7,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: phenacyl 6-bromo-3,7,8-trimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-3,7,8-trimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-bromo-3,7,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-3,7,8-trimethyl-2-(p-tolyl)cinchoninic acid phenacyl ester Formula: C28H24BrNO3 MolecularWeight: 502.39906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24BrNO3/c1-16-10-12-21(13-11-16)26-19(4)25(22-14-23(29)17(2)18(3)27(22)30-26)28(32)33-15-24(31)20-8-6-5-7-9-20/h5-14H,15H2,1-4H3