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

Systemtic Name: [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 2-fluoranyl-4-tetradecoxy-benzoate Openeye Name: [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 2-fluoro-4-tetradecoxy-benzoate CAS Name: 2-fluoro-4-tetradecoxybenzoic acid [4-[2-[2-methylbutoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 2-fluoro-4-tetradecoxybenzoate Traditional Name: 2-fluoro-4-myristyloxy-benzoic acid [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] ester Formula: C39H51FO5 MolecularWeight: 618.817643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OCC(C)CC)F

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OCC(C)CC)F

InChI

InChI=1S/C39H51FO5/c1-4-6-7-8-9-10-11-12-13-14-15-18-27-43-33-25-26-36(37(40)28-33)39(42)45-32-23-21-31(22-24-32)34-19-16-17-20-35(34)38(41)44-29-30(3)5-2/h16-17,19-26,28,30H,4-15,18,27,29H2,1-3H3