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

Systemtic Name: [1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 6-bromanyl-3,7,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-benzyloxyphenyl)-1-methyl-2-oxo-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-(4-phenylmethoxyphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylmethoxyphenyl)propan-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-(4-benzoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C36H32BrNO4 MolecularWeight: 622.54758

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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=C(C=C4)OCC5=CC=CC=C5)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=C(C=C4)OCC5=CC=CC=C5)Br)C)C

InChI

InChI=1S/C36H32BrNO4/c1-21-11-13-27(14-12-21)33-24(4)32(30-19-31(37)22(2)23(3)34(30)38-33)36(40)42-25(5)35(39)28-15-17-29(18-16-28)41-20-26-9-7-6-8-10-26/h6-19,25H,20H2,1-5H3