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

Systemtic Name: 3-[4-[5-(4-carbamimidoylphenyl)-1-methyl-pyrazol-3-yl]phenyl]propanoic acid Openeye Name: 3-[4-[5-(4-carbamimidoylphenyl)-1-methyl-pyrazol-3-yl]phenyl]propanoic acid CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-1-methyl-3-pyrazolyl]phenyl]propanoic acid IUPAC Name: 3-[4-[5-(4-carbamimidoylphenyl)-1-methylpyrazol-3-yl]phenyl]propanoic acid Traditional Name: 3-[4-[5-(4-amidinophenyl)-1-methyl-pyrazol-3-yl]phenyl]propionic acid Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H20N4O2/c1-24-18(15-7-9-16(10-8-15)20(21)22)12-17(23-24)14-5-2-13(3-6-14)4-11-19(25)26/h2-3,5-10,12H,4,11H2,1H3,(H3,21,22)(H,25,26)