phenacyl 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate

Systemtic Name: phenacyl 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate Openeye Name: phenacyl 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate CAS Name: 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate Traditional Name: 2-[4-(4-amylcyclohexyl)phenyl]-8-methyl-cinchoninic acid phenacyl ester Formula: C36H39NO3 MolecularWeight: 533.69976

Click to see the large picture

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=CC=C5

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=NC4=C(C=CC=C4C)C(=C3)C(=O)OCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C36H39NO3/c1-3-4-6-11-26-15-17-27(18-16-26)28-19-21-29(22-20-28)33-23-32(31-14-9-10-25(2)35(31)37-33)36(39)40-24-34(38)30-12-7-5-8-13-30/h5,7-10,12-14,19-23,26-27H,3-4,6,11,15-18,24H2,1-2H3