[2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-3,7,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-3,7,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-acetoxyphenyl)-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 [2-(4-acetyloxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyloxyphenyl)-2-oxoethyl] 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-acetoxyphenyl)-2-keto-ethyl] ester Formula: C36H30BrNO6 MolecularWeight: 652.5305

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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)OCC(=O)C5=CC=C(C=C5)OC(=O)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C36H30BrNO6/c1-21-22(2)35-30(18-31(21)37)33(36(41)43-20-32(40)26-10-16-29(17-11-26)44-24(4)39)23(3)34(38-35)27-12-14-28(15-13-27)42-19-25-8-6-5-7-9-25/h5-18H,19-20H2,1-4H3