[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 6-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 6-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-ethyl-3-methyl-cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C34H28BrNO4 MolecularWeight: 594.49442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CCC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C34H28BrNO4/c1-3-23-9-18-30-29(19-23)32(34(38)40-21-31(37)25-10-14-27(35)15-11-25)22(2)33(36-30)26-12-16-28(17-13-26)39-20-24-7-5-4-6-8-24/h4-19H,3,20-21H2,1-2H3