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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 6-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate CAS Name: 6-methyl-2-[4-(4-pentylcyclohexyl)phenyl]-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 6-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate Traditional Name: 2-[4-(4-amylcyclohexyl)phenyl]-6-methyl-cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C36H38BrNO3 MolecularWeight: 612.59582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(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

CCCCCC1CCC(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/C36H38BrNO3/c1-3-4-5-6-25-8-10-26(11-9-25)27-12-14-28(15-13-27)34-22-32(31-21-24(2)7-20-33(31)38-34)36(40)41-23-35(39)29-16-18-30(37)19-17-29/h7,12-22,25-26H,3-6,8-11,23H2,1-2H3