2-acetamido-2-[(3-fluoranyl-4-methyl-phenyl)methyl]propanedioic acid

Systemtic Name: 2-acetamido-2-[(3-fluoranyl-4-methyl-phenyl)methyl]propanedioic acid Openeye Name: 2-acetamido-2-[(3-fluoro-4-methyl-phenyl)methyl]propanedioic acid CAS Name: 2-acetamido-2-[(3-fluoro-4-methylphenyl)methyl]propanedioic acid IUPAC Name: 2-acetamido-2-[(3-fluoro-4-methylphenyl)methyl]propanedioic acid Traditional Name: 2-acetamido-2-(3-fluoro-4-methyl-benzyl)malonic acid Formula: C13H14FNO5 MolecularWeight: 283.252363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(C(=O)O)(C(=O)O)NC(=O)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)CC(C(=O)O)(C(=O)O)NC(=O)C)F

InChI

InChI=1S/C13H14FNO5/c1-7-3-4-9(5-10(7)14)6-13(11(17)18,12(19)20)15-8(2)16/h3-5H,6H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)