[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-ethylphenyl)-6-methyl-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-ethylphenyl)-6-methyl-cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C27H22BrNO3 MolecularWeight: 488.37248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H22BrNO3/c1-3-18-5-7-19(8-6-18)25-15-23(22-14-17(2)4-13-24(22)29-25)27(31)32-16-26(30)20-9-11-21(28)12-10-20/h4-15H,3,16H2,1-2H3