[4-[(2S)-2-methylbutanoyl]oxyphenyl] 4-decoxy-3-fluoranyl-benzoate

Systemtic Name: [4-[(2S)-2-methylbutanoyl]oxyphenyl] 4-decoxy-3-fluoranyl-benzoate Openeye Name: [4-[(2S)-2-methylbutanoyl]oxyphenyl] 4-decoxy-3-fluoro-benzoate CAS Name: 4-decoxy-3-fluorobenzoic acid [4-[(2S)-2-methyl-1-oxobutoxy]phenyl] ester IUPAC Name: [4-[(2S)-2-methylbutanoyl]oxyphenyl] 4-decoxy-3-fluorobenzoate Traditional Name: 4-decoxy-3-fluoro-benzoic acid [4-[(2S)-2-methylbutanoyl]oxyphenyl] ester Formula: C28H37FO5 MolecularWeight: 472.588783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=O)[C@@H](C)CC)F

InChI

InChI=1S/C28H37FO5/c1-4-6-7-8-9-10-11-12-19-32-26-18-13-22(20-25(26)29)28(31)34-24-16-14-23(15-17-24)33-27(30)21(3)5-2/h13-18,20-21H,4-12,19H2,1-3H3/t21-/m0/s1