[4-[2-(2-fluoranyl-2-methyl-butoxy)carbonylphenyl]phenyl] 4-decoxy-3-fluoranyl-benzoate

Systemtic Name: [4-[2-(2-fluoranyl-2-methyl-butoxy)carbonylphenyl]phenyl] 4-decoxy-3-fluoranyl-benzoate Openeye Name: [4-[2-(2-fluoro-2-methyl-butoxy)carbonylphenyl]phenyl] 4-decoxy-3-fluoro-benzoate CAS Name: 4-decoxy-3-fluorobenzoic acid [4-[2-[(2-fluoro-2-methylbutoxy)-oxomethyl]phenyl]phenyl] ester IUPAC Name: [4-[2-(2-fluoro-2-methylbutoxy)carbonylphenyl]phenyl] 4-decoxy-3-fluorobenzoate Traditional Name: 4-decoxy-3-fluoro-benzoic acid [4-[2-(2-fluoro-2-methyl-butoxy)carbonylphenyl]phenyl] ester Formula: C35H42F2O5 MolecularWeight: 580.701786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OCC(C)(CC)F)F

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OCC(C)(CC)F)F

InChI

InChI=1S/C35H42F2O5/c1-4-6-7-8-9-10-11-14-23-40-32-22-19-27(24-31(32)36)33(38)42-28-20-17-26(18-21-28)29-15-12-13-16-30(29)34(39)41-25-35(3,37)5-2/h12-13,15-22,24H,4-11,14,23,25H2,1-3H3