4-azanyl-2-[3-[3,4-bis(fluoranyl)phenyl]propanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[3-[3,4-bis(fluoranyl)phenyl]propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[3-(3,4-difluorophenyl)propanoylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[3-(3,4-difluorophenyl)-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[3-(3,4-difluorophenyl)propanoylamino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[3-(3,4-difluorophenyl)propanoylamino]-4-keto-butyric acid Formula: C13H14F2N2O4 MolecularWeight: 300.258066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC(=O)NC(CC(=O)N)C(=O)O)F)F

Isomeric SMILES

C1=CC(=C(C=C1CCC(=O)NC(CC(=O)N)C(=O)O)F)F

InChI

InChI=1S/C13H14F2N2O4/c14-8-3-1-7(5-9(8)15)2-4-12(19)17-10(13(20)21)6-11(16)18/h1,3,5,10H,2,4,6H2,(H2,16,18)(H,17,19)(H,20,21)