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

Systemtic Name: [1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-bromo-7,8-dimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-7,8-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 6-bromo-7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-7,8-dimethyl-cinchoninic acid [2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C35H30BrNO5 MolecularWeight: 624.5204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H30BrNO5/c1-21-22(2)33-29(18-31(21)36)30(35(39)42-23(3)34(38)26-12-14-27(40-4)15-13-26)19-32(37-33)25-10-16-28(17-11-25)41-20-24-8-6-5-7-9-24/h5-19,23H,20H2,1-4H3