3-[4-[2-(4-carbamimidoyl-2-fluoranyl-phenyl)-3-oxidanylidene-1H-pyrazol-5-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(4-carbamimidoyl-2-fluoranyl-phenyl)-3-oxidanylidene-1H-pyrazol-5-yl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(4-carbamimidoyl-2-fluoro-phenyl)-3-oxo-1H-pyrazol-5-yl]phenyl]propanoic acid CAS Name: 3-[4-[2-(4-carbamimidoyl-2-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(4-carbamimidoyl-2-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidino-2-fluoro-phenyl)-5-keto-3-pyrazolin-3-yl]phenyl]propionic acid Formula: C19H17FN4O3 MolecularWeight: 368.361683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)C2=CC(=O)N(N2)C3=C(C=C(C=C3)C(=N)N)F

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C2=CC(=O)N(N2)C3=C(C=C(C=C3)C(=N)N)F

InChI

InChI=1S/C19H17FN4O3/c20-14-9-13(19(21)22)6-7-16(14)24-17(25)10-15(23-24)12-4-1-11(2-5-12)3-8-18(26)27/h1-2,4-7,9-10,23H,3,8H2,(H3,21,22)(H,26,27)