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

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

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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(C)CCC)F

Isomeric SMILES

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

InChI

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