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

Systemtic Name: [4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-fluoranyl-4-octoxy-benzoate Openeye Name: [4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-fluoro-4-octoxy-benzoate CAS Name: 3-fluoro-4-octoxybenzoic acid [4-[4-[2-methylbutoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-fluoro-4-octoxybenzoate Traditional Name: 3-fluoro-4-octoxy-benzoic acid [4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] ester Formula: C33H39FO5 MolecularWeight: 534.658163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=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

CCCCCCCCOC1=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/C33H39FO5/c1-4-6-7-8-9-10-21-37-31-20-17-28(22-30(31)34)33(36)39-29-18-15-26(16-19-29)25-11-13-27(14-12-25)32(35)38-23-24(3)5-2/h11-20,22,24H,4-10,21,23H2,1-3H3