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

Systemtic Name: phenacyl 6-methyl-2-[4-(4-propylcyclohexyl)phenyl]quinoline-4-carboxylate Openeye Name: phenacyl 6-methyl-2-[4-(4-propylcyclohexyl)phenyl]quinoline-4-carboxylate CAS Name: 6-methyl-2-[4-(4-propylcyclohexyl)phenyl]-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-methyl-2-[4-(4-propylcyclohexyl)phenyl]quinoline-4-carboxylate Traditional Name: 6-methyl-2-[4-(4-propylcyclohexyl)phenyl]cinchoninic acid phenacyl ester Formula: C34H35NO3 MolecularWeight: 505.6466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(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

CCCC1CCC(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/C34H35NO3/c1-3-7-24-11-13-25(14-12-24)26-15-17-27(18-16-26)32-21-30(29-20-23(2)10-19-31(29)35-32)34(37)38-22-33(36)28-8-5-4-6-9-28/h4-6,8-10,15-21,24-25H,3,7,11-14,22H2,1-2H3