phenacyl 6-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate

Systemtic Name: phenacyl 6-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate Openeye Name: phenacyl 6-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate CAS Name: 6-methyl-2-[4-(4-pentylcyclohexyl)phenyl]-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate Traditional Name: 2-[4-(4-amylcyclohexyl)phenyl]-6-methyl-cinchoninic acid phenacyl ester Formula: C36H39NO3 MolecularWeight: 533.69976

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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=CC=C5

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=CC=C5

InChI

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