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

Systemtic Name: [4-[4-(2-methylpropanoyloxy)phenyl]phenyl] 4-decoxy-3-fluoranyl-benzoate Openeye Name: [4-[4-(2-methylpropanoyloxy)phenyl]phenyl] 4-decoxy-3-fluoro-benzoate CAS Name: 4-decoxy-3-fluorobenzoic acid [4-[4-(2-methyl-1-oxopropoxy)phenyl]phenyl] ester IUPAC Name: [4-[4-(2-methylpropanoyloxy)phenyl]phenyl] 4-decoxy-3-fluorobenzoate Traditional Name: 4-decoxy-3-fluoro-benzoic acid [4-(4-isobutyryloxyphenyl)phenyl] ester Formula: C33H39FO5 MolecularWeight: 534.658163

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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)OC(=O)C(C)C)F

Isomeric SMILES

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

InChI

InChI=1S/C33H39FO5/c1-4-5-6-7-8-9-10-11-22-37-31-21-16-27(23-30(31)34)33(36)39-29-19-14-26(15-20-29)25-12-17-28(18-13-25)38-32(35)24(2)3/h12-21,23-24H,4-11,22H2,1-3H3