[4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] 4-decoxy-3-fluoranyl-benzoate

Systemtic Name: [4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] 4-decoxy-3-fluoranyl-benzoate Openeye Name: [4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] 4-decoxy-3-fluoro-benzoate CAS Name: 4-decoxy-3-fluorobenzoic acid [4-[4-[2-methylbutoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] 4-decoxy-3-fluorobenzoate Traditional Name: 4-decoxy-3-fluoro-benzoic acid [4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] ester Formula: C35H43FO5 MolecularWeight: 562.711323

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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=C(C=C3)C(=O)OCC(C)CC)F

Isomeric SMILES

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

InChI

InChI=1S/C35H43FO5/c1-4-6-7-8-9-10-11-12-23-39-33-22-19-30(24-32(33)36)35(38)41-31-20-17-28(18-21-31)27-13-15-29(16-14-27)34(37)40-25-26(3)5-2/h13-22,24,26H,4-12,23,25H2,1-3H3