[4-(4-octoxycarbonylphenyl)phenyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [4-[4-[octoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [4-(4-octoxycarbonylphenyl)phenyl] ester Formula: C29H31FO4 MolecularWeight: 462.552443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)C)F

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)C)F

InChI

InChI=1S/C29H31FO4/c1-3-4-5-6-7-8-19-33-28(31)24-13-11-22(12-14-24)23-15-17-26(18-16-23)34-29(32)25-10-9-21(2)27(30)20-25/h9-18,20H,3-8,19H2,1-2H3