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

Systemtic Name: [2-fluoranyl-4-(3-fluoranyl-4-octoxy-phenyl)phenyl] 3-butylcyclobutane-1-carboxylate Openeye Name: [2-fluoro-4-(3-fluoro-4-octoxy-phenyl)phenyl] 3-butylcyclobutanecarboxylate CAS Name: 3-butyl-1-cyclobutanecarboxylic acid [2-fluoro-4-(3-fluoro-4-octoxyphenyl)phenyl] ester IUPAC Name: [2-fluoro-4-(3-fluoro-4-octoxyphenyl)phenyl] 3-butylcyclobutane-1-carboxylate Traditional Name: 3-butylcyclobutanecarboxylic acid [2-fluoro-4-(3-fluoro-4-octoxy-phenyl)phenyl] ester Formula: C29H38F2O3 MolecularWeight: 472.607026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3CC(C3)CCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3CC(C3)CCCC)F)F

InChI

InChI=1S/C29H38F2O3/c1-3-5-7-8-9-10-16-33-27-14-12-22(19-25(27)30)23-13-15-28(26(31)20-23)34-29(32)24-17-21(18-24)11-6-4-2/h12-15,19-21,24H,3-11,16-18H2,1-2H3