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

Systemtic Name: [1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 6-bromanyl-3,7,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-benzyloxyphenyl)-1-methyl-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-bromo-3,7,8-trimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-3,7,8-trimethyl-2-(4-phenylmethoxyphenyl)-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-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-3,7,8-trimethyl-cinchoninic acid [2-(4-benzoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C42H36BrNO5 MolecularWeight: 714.64294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(C(=NC2=C1C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OC(C)C(=O)C5=CC=C(C=C5)OCC6=CC=CC=C6)Br

Isomeric SMILES

CC1=C(C=C2C(=C(C(=NC2=C1C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OC(C)C(=O)C5=CC=C(C=C5)OCC6=CC=CC=C6)Br

InChI

InChI=1S/C42H36BrNO5/c1-26-27(2)40-36(23-37(26)43)38(28(3)39(44-40)32-15-19-34(20-16-32)47-24-30-11-7-5-8-12-30)42(46)49-29(4)41(45)33-17-21-35(22-18-33)48-25-31-13-9-6-10-14-31/h5-23,29H,24-25H2,1-4H3