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

Systemtic Name: [4-(4-decoxy-3-fluoranyl-phenyl)-2-fluoranyl-phenyl] 3-butylcyclobutane-1-carboxylate Openeye Name: [4-(4-decoxy-3-fluoro-phenyl)-2-fluoro-phenyl] 3-butylcyclobutanecarboxylate CAS Name: 3-butyl-1-cyclobutanecarboxylic acid [4-(4-decoxy-3-fluorophenyl)-2-fluorophenyl] ester IUPAC Name: [4-(4-decoxy-3-fluorophenyl)-2-fluorophenyl] 3-butylcyclobutane-1-carboxylate Traditional Name: 3-butylcyclobutanecarboxylic acid [4-(4-decoxy-3-fluoro-phenyl)-2-fluoro-phenyl] ester Formula: C31H42F2O3 MolecularWeight: 500.660186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3CC(C3)CCCC)F)F

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3CC(C3)CCCC)F)F

InChI

InChI=1S/C31H42F2O3/c1-3-5-7-8-9-10-11-12-18-35-29-16-14-24(21-27(29)32)25-15-17-30(28(33)22-25)36-31(34)26-19-23(20-26)13-6-4-2/h14-17,21-23,26H,3-13,18-20H2,1-2H3