(4-octan-2-yloxycarbonylphenyl) 3-fluoranyl-4-(4-octoxyphenyl)benzoate

Systemtic Name: (4-octan-2-yloxycarbonylphenyl) 3-fluoranyl-4-(4-octoxyphenyl)benzoate Openeye Name: [4-(1-methylheptoxycarbonyl)phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate CAS Name: 3-fluoro-4-(4-octoxyphenyl)benzoic acid [4-[octan-2-yloxy(oxo)methyl]phenyl] ester IUPAC Name: (4-octan-2-yloxycarbonylphenyl) 3-fluoro-4-(4-octoxyphenyl)benzoate Traditional Name: 3-fluoro-4-(4-octoxyphenyl)benzoic acid [4-(1-methylheptoxycarbonyl)phenyl] ester Formula: C36H45FO5 MolecularWeight: 576.737903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)CCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)CCCCCC)F

InChI

InChI=1S/C36H45FO5/c1-4-6-8-10-11-13-25-40-31-20-15-28(16-21-31)33-24-19-30(26-34(33)37)36(39)42-32-22-17-29(18-23-32)35(38)41-27(3)14-12-9-7-5-2/h15-24,26-27H,4-14,25H2,1-3H3