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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-methyl-2-[4-(4-propylcyclohexyl)phenyl]quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 6-methyl-2-[4-(4-propylcyclohexyl)phenyl]quinoline-4-carboxylate CAS Name: 6-methyl-2-[4-(4-propylcyclohexyl)phenyl]-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 6-methyl-2-[4-(4-propylcyclohexyl)phenyl]quinoline-4-carboxylate Traditional Name: 6-methyl-2-[4-(4-propylcyclohexyl)phenyl]cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C34H34BrNO3 MolecularWeight: 584.54266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CCCC1CCC(CC1)C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C34H34BrNO3/c1-3-4-23-6-8-24(9-7-23)25-10-12-26(13-11-25)32-20-30(29-19-22(2)5-18-31(29)36-32)34(38)39-21-33(37)27-14-16-28(35)17-15-27/h5,10-20,23-24H,3-4,6-9,21H2,1-2H3