(E)-4-[[(4-fluorophenyl)-pyridin-3-yl-methyl]-methyl-amino]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[[(4-fluorophenyl)-pyridin-3-yl-methyl]-methyl-amino]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[[(4-fluorophenyl)-(3-pyridyl)methyl]-methyl-amino]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[[(4-fluorophenyl)-(3-pyridinyl)methyl]-methylamino]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[[(4-fluorophenyl)-pyridin-3-ylmethyl]-methylamino]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[[(4-fluorophenyl)-(3-pyridyl)methyl]-methyl-amino]-4-hydroxy-2-keto-but-3-enoic acid Formula: C17H15FN2O4 MolecularWeight: 330.310403

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(C1=CC=C(C=C1)F)C2=CN=CC=C2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

CN(C(C1=CC=C(C=C1)F)C2=CN=CC=C2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C17H15FN2O4/c1-20(15(22)9-14(21)17(23)24)16(12-3-2-8-19-10-12)11-4-6-13(18)7-5-11/h2-10,16,22H,1H3,(H,23,24)/b15-9+