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

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 6-bromanyl-3,7,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-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-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-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-keto-1-methyl-2-phenyl-ethyl) ester Formula: C35H30BrNO4 MolecularWeight: 608.521

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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=CC=C5)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=CC=C5)Br

InChI

InChI=1S/C35H30BrNO4/c1-21-22(2)33-29(19-30(21)36)31(35(39)41-24(4)34(38)27-13-9-6-10-14-27)23(3)32(37-33)26-15-17-28(18-16-26)40-20-25-11-7-5-8-12-25/h5-19,24H,20H2,1-4H3