3-[[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]carbonylamino]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]carbonylamino]-4-fluoranyl-benzoic acid Openeye Name: 3-[[4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]benzoyl]amino]-4-fluoro-benzoic acid CAS Name: 3-[[[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]-oxomethyl]amino]-4-fluorobenzoic acid IUPAC Name: 3-[[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]benzoyl]amino]-4-fluorobenzoic acid Traditional Name: 3-[[4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]benzoyl]amino]-4-fluoro-benzoic acid Formula: C26H24FNO6 MolecularWeight: 465.470263

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)F

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)F

InChI

InChI=1S/C26H24FNO6/c1-3-4-20-23(12-10-19(15(2)29)24(20)30)34-14-16-5-7-17(8-6-16)25(31)28-22-13-18(26(32)33)9-11-21(22)27/h5-13,30H,3-4,14H2,1-2H3,(H,28,31)(H,32,33)