[4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 4-decoxy-2-fluoranyl-benzoate

Systemtic Name: [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 4-decoxy-2-fluoranyl-benzoate Openeye Name: [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 4-decoxy-2-fluoro-benzoate CAS Name: 4-decoxy-2-fluorobenzoic acid [4-[2-[2-methylbutoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 4-decoxy-2-fluorobenzoate Traditional Name: 4-decoxy-2-fluoro-benzoic acid [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] ester Formula: C35H43FO5 MolecularWeight: 562.711323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H43FO5/c1-4-6-7-8-9-10-11-14-23-39-29-21-22-32(33(36)24-29)35(38)41-28-19-17-27(18-20-28)30-15-12-13-16-31(30)34(37)40-25-26(3)5-2/h12-13,15-22,24,26H,4-11,14,23,25H2,1-3H3