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

Systemtic Name: (4-heptan-4-yloxycarbonylphenyl) 4-(4-decoxyphenyl)-2-fluoranyl-benzoate Openeye Name: [4-(1-propylbutoxycarbonyl)phenyl] 4-(4-decoxyphenyl)-2-fluoro-benzoate CAS Name: 4-(4-decoxyphenyl)-2-fluorobenzoic acid [4-[heptan-4-yloxy(oxo)methyl]phenyl] ester IUPAC Name: (4-heptan-4-yloxycarbonylphenyl) 4-(4-decoxyphenyl)-2-fluorobenzoate Traditional Name: 4-(4-decoxyphenyl)-2-fluoro-benzoic acid [4-(1-propylbutoxycarbonyl)phenyl] ester Formula: C37H47FO5 MolecularWeight: 590.764483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(CCC)CCC)F

Isomeric SMILES

CCCCCCCCCCOC1=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/C37H47FO5/c1-4-7-8-9-10-11-12-13-26-41-31-21-16-28(17-22-31)30-20-25-34(35(38)27-30)37(40)43-33-23-18-29(19-24-33)36(39)42-32(14-5-2)15-6-3/h16-25,27,32H,4-15,26H2,1-3H3