(4-pentan-3-yloxycarbonylphenyl) 2-fluoranyl-4-(4-hexoxyphenyl)benzoate

Systemtic Name: (4-pentan-3-yloxycarbonylphenyl) 2-fluoranyl-4-(4-hexoxyphenyl)benzoate Openeye Name: [4-(1-ethylpropoxycarbonyl)phenyl] 2-fluoro-4-(4-hexoxyphenyl)benzoate CAS Name: 2-fluoro-4-(4-hexoxyphenyl)benzoic acid [4-[oxo(pentan-3-yloxy)methyl]phenyl] ester IUPAC Name: (4-pentan-3-yloxycarbonylphenyl) 2-fluoro-4-(4-hexoxyphenyl)benzoate Traditional Name: 2-fluoro-4-(4-hexoxyphenyl)benzoic acid [4-(1-ethylpropoxycarbonyl)phenyl] ester Formula: C31H35FO5 MolecularWeight: 506.605003

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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(CC)CC)F

Isomeric SMILES

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

InChI

InChI=1S/C31H35FO5/c1-4-7-8-9-20-35-26-15-10-22(11-16-26)24-14-19-28(29(32)21-24)31(34)37-27-17-12-23(13-18-27)30(33)36-25(5-2)6-3/h10-19,21,25H,4-9,20H2,1-3H3