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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O

InChI

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