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2-azanyl-4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]methyl]pentanedioic acid

2-azanyl-4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]methyl]pentanedioic acid

Systemtic Name:2-azanyl-4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]methyl]pentanedioic acid
Openeye Name:2-amino-4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]methyl]pentanedioic acid
CAS Name:2-amino-4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]methyl]pentanedioic acid
IUPAC Name:2-amino-4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]methyl]pentanedioic acid
Traditional Name:2-amino-4-[2-fluoranyl-5-(trifluoromethyl)benzyl]glutaric acid
Formula: C13H13F4NO4
MolecularWeight: 322.242767
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)CC(CC(C(=O)O)N)C(=O)O)F


Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)CC(CC(C(=O)O)N)C(=O)O)[18F]


InChI

InChI=1S/C13H13F4NO4/c14-9-2-1-8(13(15,16)17)4-6(9)3-7(11(19)20)5-10(18)12(21)22/h1-2,4,7,10H,3,5,18H2,(H,19,20)(H,21,22)/i14-1


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