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

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenyl)pyrazol-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenyl)pyrazol-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-1-pyrazolyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenyl)pyrazol-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)pyrazol-1-yl]phenyl]propionic acid Formula: C19H18N4O2 MolecularWeight: 334.37182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)N2C=CC(=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)N2C=CC(=N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H18N4O2/c20-19(21)15-6-4-14(5-7-15)17-11-12-23(22-17)16-8-1-13(2-9-16)3-10-18(24)25/h1-2,4-9,11-12H,3,10H2,(H3,20,21)(H,24,25)