[4-(4-decoxy-3-fluoranyl-phenyl)-2-fluoranyl-phenyl] 4-heptylcyclohexane-1-carboxylate

Systemtic Name: [4-(4-decoxy-3-fluoranyl-phenyl)-2-fluoranyl-phenyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [4-(4-decoxy-3-fluoro-phenyl)-2-fluoro-phenyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [4-(4-decoxy-3-fluorophenyl)-2-fluorophenyl] ester IUPAC Name: [4-(4-decoxy-3-fluorophenyl)-2-fluorophenyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [4-(4-decoxy-3-fluoro-phenyl)-2-fluoro-phenyl] ester Formula: C36H52F2O3 MolecularWeight: 570.793086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3CCC(CC3)CCCCCCC)F)F

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3CCC(CC3)CCCCCCC)F)F

InChI

InChI=1S/C36H52F2O3/c1-3-5-7-9-10-11-13-15-25-40-34-23-21-30(26-32(34)37)31-22-24-35(33(38)27-31)41-36(39)29-19-17-28(18-20-29)16-14-12-8-6-4-2/h21-24,26-29H,3-20,25H2,1-2H3