(4-heptan-4-yloxycarbonylphenyl) 2-fluoranyl-4-(4-octoxyphenyl)benzoate

Systemtic Name: (4-heptan-4-yloxycarbonylphenyl) 2-fluoranyl-4-(4-octoxyphenyl)benzoate Openeye Name: [4-(1-propylbutoxycarbonyl)phenyl] 2-fluoro-4-(4-octoxyphenyl)benzoate CAS Name: 2-fluoro-4-(4-octoxyphenyl)benzoic acid [4-[heptan-4-yloxy(oxo)methyl]phenyl] ester IUPAC Name: (4-heptan-4-yloxycarbonylphenyl) 2-fluoro-4-(4-octoxyphenyl)benzoate Traditional Name: 2-fluoro-4-(4-octoxyphenyl)benzoic acid [4-(1-propylbutoxycarbonyl)phenyl] ester Formula: C35H43FO5 MolecularWeight: 562.711323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H43FO5/c1-4-7-8-9-10-11-24-39-29-19-14-26(15-20-29)28-18-23-32(33(36)25-28)35(38)41-31-21-16-27(17-22-31)34(37)40-30(12-5-2)13-6-3/h14-23,25,30H,4-13,24H2,1-3H3