5-azanyl-4-oxidanyl-2,6-bis[4-(trifluoromethyl)phenyl]hexanoic acid

Systemtic Name: 5-azanyl-4-oxidanyl-2,6-bis[4-(trifluoromethyl)phenyl]hexanoic acid Openeye Name: 5-amino-4-hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]hexanoic acid CAS Name: 5-amino-4-hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]hexanoic acid IUPAC Name: 5-amino-4-hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]hexanoic acid Traditional Name: 5-amino-4-hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]hexanoic acid Formula: C20H19F6NO3 MolecularWeight: 435.360179

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(CC(C2=CC=C(C=C2)C(F)(F)F)C(=O)O)O)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CC(C(CC(C2=CC=C(C=C2)C(F)(F)F)C(=O)O)O)N)C(F)(F)F

InChI

InChI=1S/C20H19F6NO3/c21-19(22,23)13-5-1-11(2-6-13)9-16(27)17(28)10-15(18(29)30)12-3-7-14(8-4-12)20(24,25)26/h1-8,15-17,28H,9-10,27H2,(H,29,30)