2-acetamido-2-[(5-fluoranyl-1H-indol-3-yl)methyl]propanedioic acid

Systemtic Name: 2-acetamido-2-[(5-fluoranyl-1H-indol-3-yl)methyl]propanedioic acid Openeye Name: 2-acetamido-2-[(5-fluoro-1H-indol-3-yl)methyl]propanedioic acid CAS Name: 2-acetamido-2-[(5-fluoro-1H-indol-3-yl)methyl]propanedioic acid IUPAC Name: 2-acetamido-2-[(5-fluoro-1H-indol-3-yl)methyl]propanedioic acid Traditional Name: 2-acetamido-2-[(5-fluoro-1H-indol-3-yl)methyl]malonic acid Formula: C14H13FN2O5 MolecularWeight: 308.261823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=C1C=C(C=C2)F)(C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CNC2=C1C=C(C=C2)F)(C(=O)O)C(=O)O

InChI

InChI=1S/C14H13FN2O5/c1-7(18)17-14(12(19)20,13(21)22)5-8-6-16-11-3-2-9(15)4-10(8)11/h2-4,6,16H,5H2,1H3,(H,17,18)(H,19,20)(H,21,22)