(E)-5-azanyl-2-(fluoranylmethyl)-2-phenylazanyl-pent-3-enoic acid

Systemtic Name: (E)-5-azanyl-2-(fluoranylmethyl)-2-phenylazanyl-pent-3-enoic acid Openeye Name: (E)-5-amino-2-anilino-2-(fluoromethyl)pent-3-enoic acid CAS Name: (E)-5-amino-2-anilino-2-(fluoromethyl)-3-pentenoic acid IUPAC Name: (E)-5-amino-2-anilino-2-(fluoromethyl)pent-3-enoic acid Traditional Name: (E)-5-amino-2-anilino-2-(fluoromethyl)pent-3-enoic acid Formula: C12H15FN2O2 MolecularWeight: 238.258103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(CF)(C=CCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(CF)(/C=C/CN)C(=O)O

InChI

InChI=1S/C12H15FN2O2/c13-9-12(11(16)17,7-4-8-14)15-10-5-2-1-3-6-10/h1-7,15H,8-9,14H2,(H,16,17)/b7-4+