3-(4-carbamimidoylphenyl)-5-[4-(2-carboxyethyl)phenyl]-1H-pyrazole-4-carboxylic acid

Systemtic Name: 3-(4-carbamimidoylphenyl)-5-[4-(2-carboxyethyl)phenyl]-1H-pyrazole-4-carboxylic acid Openeye Name: 3-(4-carbamimidoylphenyl)-5-[4-(2-carboxyethyl)phenyl]-1H-pyrazole-4-carboxylic acid CAS Name: 3-(4-carbamimidoylphenyl)-5-[4-(2-carboxyethyl)phenyl]-1H-pyrazole-4-carboxylic acid IUPAC Name: 3-(4-carbamimidoylphenyl)-5-[4-(2-carboxyethyl)phenyl]-1H-pyrazole-4-carboxylic acid Traditional Name: 3-(4-amidinophenyl)-5-[4-(2-carboxyethyl)phenyl]-1H-pyrazole-4-carboxylic acid Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)C2=C(C(=NN2)C3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C2=C(C(=NN2)C3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C20H18N4O4/c21-19(22)14-8-6-13(7-9-14)18-16(20(27)28)17(23-24-18)12-4-1-11(2-5-12)3-10-15(25)26/h1-2,4-9H,3,10H2,(H3,21,22)(H,23,24)(H,25,26)(H,27,28)