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

Systemtic Name: [4-[(3S)-3-methylpentanoyl]oxyphenyl] 4-decoxy-3-fluoranyl-benzoate Openeye Name: [4-[(3S)-3-methylpentanoyl]oxyphenyl] 4-decoxy-3-fluoro-benzoate CAS Name: 4-decoxy-3-fluorobenzoic acid [4-[(3S)-3-methyl-1-oxopentoxy]phenyl] ester IUPAC Name: [4-[(3S)-3-methylpentanoyl]oxyphenyl] 4-decoxy-3-fluorobenzoate Traditional Name: 4-decoxy-3-fluoro-benzoic acid [4-[(3S)-3-methylpentanoyl]oxyphenyl] ester Formula: C29H39FO5 MolecularWeight: 486.615363

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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)CC(C)CC)F

Isomeric SMILES

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

InChI

InChI=1S/C29H39FO5/c1-4-6-7-8-9-10-11-12-19-33-27-18-13-23(21-26(27)30)29(32)35-25-16-14-24(15-17-25)34-28(31)20-22(3)5-2/h13-18,21-22H,4-12,19-20H2,1-3H3/t22-/m0/s1