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2-azanyl-4-[(4-cyano-3-fluoranyl-phenyl)methyl]pentanedioic acid

2-azanyl-4-[(4-cyano-3-fluoranyl-phenyl)methyl]pentanedioic acid

Systemtic Name:2-azanyl-4-[(4-cyano-3-fluoranyl-phenyl)methyl]pentanedioic acid
Openeye Name:2-amino-4-[(4-cyano-3-fluoranyl-phenyl)methyl]pentanedioic acid
CAS Name:2-amino-4-[(4-cyano-3-fluoranylphenyl)methyl]pentanedioic acid
IUPAC Name:2-amino-4-[(4-cyano-3-fluoranylphenyl)methyl]pentanedioic acid
Traditional Name:2-amino-4-(4-cyano-3-fluoranyl-benzyl)glutaric acid
Formula: C13H13FN2O4
MolecularWeight: 279.254258
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

C1=CC(=C(C=C1CC(CC(C(=O)O)N)C(=O)O)[18F])C#N


InChI

InChI=1S/C13H13FN2O4/c14-10-4-7(1-2-8(10)6-15)3-9(12(17)18)5-11(16)13(19)20/h1-2,4,9,11H,3,5,16H2,(H,17,18)(H,19,20)/i14-1


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