2-[4-[[2-(3-carbamimidoylphenyl)-5-methyl-pyrazol-3-yl]carbonylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[2-(3-carbamimidoylphenyl)-5-methyl-pyrazol-3-yl]carbonylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[2-(3-carbamimidoylphenyl)-5-methyl-pyrazole-3-carbonyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[[2-(3-carbamimidoylphenyl)-5-methyl-3-pyrazolyl]-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[2-(3-carbamimidoylphenyl)-5-methylpyrazole-3-carbonyl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[2-(3-amidinophenyl)-5-methyl-pyrazole-3-carbonyl]amino]phenyl]acetic acid Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)CC(=O)O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)CC(=O)O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C20H19N5O3/c1-12-9-17(25(24-12)16-4-2-3-14(11-16)19(21)22)20(28)23-15-7-5-13(6-8-15)10-18(26)27/h2-9,11H,10H2,1H3,(H3,21,22)(H,23,28)(H,26,27)