[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(3,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(3,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(3,4-dimethylphenyl)-4-quinolinecarboxylic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(3,4-dimethylphenyl)cinchoninic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C27H22BrNO4 MolecularWeight: 504.37188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C27H22BrNO4/c1-16-4-5-19(12-17(16)2)25-14-23(22-13-20(28)8-11-24(22)29-25)27(31)33-15-26(30)18-6-9-21(32-3)10-7-18/h4-14H,15H2,1-3H3