4-[[[2-[bis(fluoranyl)-(4-phenylphenyl)methoxy]phenyl]methyl-(5-oxidanyl-5-oxidanylidene-pentyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[[2-[bis(fluoranyl)-(4-phenylphenyl)methoxy]phenyl]methyl-(5-oxidanyl-5-oxidanylidene-pentyl)amino]methyl]benzoic acid Openeye Name: 4-[[[2-[difluoro-(4-phenylphenyl)methoxy]phenyl]methyl-(5-hydroxy-5-oxo-pentyl)amino]methyl]benzoic acid CAS Name: 4-[[[2-[difluoro-(4-phenylphenyl)methoxy]phenyl]methyl-(5-hydroxy-5-oxopentyl)amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[difluoro-(4-phenylphenyl)methoxy]phenyl]methyl-(5-hydroxy-5-oxopentyl)amino]methyl]benzoic acid Traditional Name: 4-[[[2-[difluoro-(4-phenylphenyl)methoxy]benzyl]-(5-hydroxy-5-keto-pentyl)amino]methyl]benzoic acid Formula: C33H31F2NO5 MolecularWeight: 559.599746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(OC3=CC=CC=C3CN(CCCCC(=O)O)CC4=CC=C(C=C4)C(=O)O)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(OC3=CC=CC=C3CN(CCCCC(=O)O)CC4=CC=C(C=C4)C(=O)O)(F)F

InChI

InChI=1S/C33H31F2NO5/c34-33(35,29-19-17-26(18-20-29)25-8-2-1-3-9-25)41-30-11-5-4-10-28(30)23-36(21-7-6-12-31(37)38)22-24-13-15-27(16-14-24)32(39)40/h1-5,8-11,13-20H,6-7,12,21-23H2,(H,37,38)(H,39,40)