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

Systemtic Name: 3-[4-[5-(4-carbamimidoylphenyl)-3-oxidanylidene-1H-pyrazol-2-yl]phenyl]propanoic acid Openeye Name: 3-[4-[5-(4-carbamimidoylphenyl)-3-oxo-1H-pyrazol-2-yl]phenyl]propanoic acid CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-3-oxo-1H-pyrazol-2-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[5-(4-carbamimidoylphenyl)-3-oxo-1H-pyrazol-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)-5-keto-3-pyrazolin-1-yl]phenyl]propionic acid Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)N2C(=O)C=C(N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)N2C(=O)C=C(N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H18N4O3/c20-19(21)14-6-4-13(5-7-14)16-11-17(24)23(22-16)15-8-1-12(2-9-15)3-10-18(25)26/h1-2,4-9,11,22H,3,10H2,(H3,20,21)(H,25,26)