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

Systemtic Name: (4-heptan-4-yloxycarbonylphenyl) 2-fluoranyl-4-(4-hexoxyphenyl)benzoate Openeye Name: [4-(1-propylbutoxycarbonyl)phenyl] 2-fluoro-4-(4-hexoxyphenyl)benzoate CAS Name: 2-fluoro-4-(4-hexoxyphenyl)benzoic acid [4-[heptan-4-yloxy(oxo)methyl]phenyl] ester IUPAC Name: (4-heptan-4-yloxycarbonylphenyl) 2-fluoro-4-(4-hexoxyphenyl)benzoate Traditional Name: 2-fluoro-4-(4-hexoxyphenyl)benzoic acid [4-(1-propylbutoxycarbonyl)phenyl] ester Formula: C33H39FO5 MolecularWeight: 534.658163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(CCC)CCC)F

Isomeric SMILES

CCCCCCOC1=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/C33H39FO5/c1-4-7-8-9-22-37-27-17-12-24(13-18-27)26-16-21-30(31(34)23-26)33(36)39-29-19-14-25(15-20-29)32(35)38-28(10-5-2)11-6-3/h12-21,23,28H,4-11,22H2,1-3H3