(1-oxidanylidene-1-phenyl-propan-2-yl) 6-bromanyl-3,7,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 6-bromanyl-3,7,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 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 (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 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 (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C29H26BrNO3 MolecularWeight: 516.42564

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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)OC(C)C(=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)OC(C)C(=O)C4=CC=CC=C4)Br)C)C

InChI

InChI=1S/C29H26BrNO3/c1-16-11-13-21(14-12-16)26-19(4)25(23-15-24(30)17(2)18(3)27(23)31-26)29(33)34-20(5)28(32)22-9-7-6-8-10-22/h6-15,20H,1-5H3