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

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-2-methyl-5-oxidanylidene-pyrazol-3-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-2-methyl-5-oxo-pyrazol-3-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-2-methyl-5-oxo-3-pyrazolyl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-2-methyl-5-oxopyrazol-3-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-5-keto-2-methyl-3-pyrazolin-3-yl]phenyl]propionic acid Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CN1C(=CC(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C20H20N4O3/c1-23-17(14-5-2-13(3-6-14)4-11-19(26)27)12-18(25)24(23)16-9-7-15(8-10-16)20(21)22/h2-3,5-10,12H,4,11H2,1H3,(H3,21,22)(H,26,27)