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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 6-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)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-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 6-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate Traditional Name: 2-[4-(4-amylcyclohexyl)phenyl]-6-methyl-cinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C37H41NO3 MolecularWeight: 547.72634

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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)C

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)C

InChI

InChI=1S/C37H41NO3/c1-4-5-6-7-27-11-15-28(16-12-27)29-17-19-30(20-18-29)35-23-33(32-22-26(3)10-21-34(32)38-35)37(40)41-24-36(39)31-13-8-25(2)9-14-31/h8-10,13-14,17-23,27-28H,4-7,11-12,15-16,24H2,1-3H3