[4-(3-ethyl-4-hexan-2-yloxycarbonyl-phenyl)phenyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [4-(3-ethyl-4-hexan-2-yloxycarbonyl-phenyl)phenyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [4-[3-ethyl-4-(1-methylpentoxycarbonyl)phenyl]phenyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [4-[3-ethyl-4-[hexan-2-yloxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-(3-ethyl-4-hexan-2-yloxycarbonylphenyl)phenyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [4-[3-ethyl-4-(1-methylpentoxycarbonyl)phenyl]phenyl] ester Formula: C29H31FO4 MolecularWeight: 462.552443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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