[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate CAS Name: 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate Traditional Name: 2-[4-(4-amylcyclohexyl)phenyl]-8-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=CC=C4C)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=CC=C4C)C(=C3)C(=O)OCC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C36H38BrNO3/c1-3-4-5-8-25-10-12-26(13-11-25)27-14-16-28(17-15-27)33-22-32(31-9-6-7-24(2)35(31)38-33)36(40)41-23-34(39)29-18-20-30(37)21-19-29/h6-7,9,14-22,25-26H,3-5,8,10-13,23H2,1-2H3