4-[[2-[2-[[2-fluoranyl-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl-(5-oxidanyl-5-oxidanylidene-pentyl)amino]methyl]benzoic acid hydrochloride

Systemtic Name: 4-[[2-[2-[[2-fluoranyl-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl-(5-oxidanyl-5-oxidanylidene-pentyl)amino]methyl]benzoic acid hydrochloride Openeye Name: 4-[[2-[2-[[2-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl-(5-hydroxy-5-oxo-pentyl)amino]methyl]benzoic acid hydrochloride CAS Name: 4-[[2-[2-[[2-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl-(5-hydroxy-5-oxopentyl)amino]methyl]benzoic acid hydrochloride IUPAC Name: 4-[[2-[2-[[2-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl-(5-hydroxy-5-oxopentyl)amino]methyl]benzoic acid hydrochloride Traditional Name: 4-[[2-[2-[2-fluoro-4-[4-(trifluoromethyl)phenyl]benzyl]oxyphenyl]ethyl-(5-hydroxy-5-keto-pentyl)amino]methyl]benzoic acid hydrochloride Formula: C35H34ClF4NO5 MolecularWeight: 660.094773

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCN(CCCCC(=O)O)CC2=CC=C(C=C2)C(=O)O)OCC3=C(C=C(C=C3)C4=CC=C(C=C4)C(F)(F)F)F.Cl

Isomeric SMILES

C1=CC=C(C(=C1)CCN(CCCCC(=O)O)CC2=CC=C(C=C2)C(=O)O)OCC3=C(C=C(C=C3)C4=CC=C(C=C4)C(F)(F)F)F.Cl

InChI

InChI=1S/C35H33F4NO5.ClH/c36-31-21-28(25-14-16-30(17-15-25)35(37,38)39)12-13-29(31)23-45-32-6-2-1-5-26(32)18-20-40(19-4-3-7-33(41)42)22-24-8-10-27(11-9-24)34(43)44;/h1-2,5-6,8-17,21H,3-4,7,18-20,22-23H2,(H,41,42)(H,43,44);1H