3-[4-[1-(4-carbamimidoylphenyl)-1,2,4-triazol-3-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-1,2,4-triazol-3-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-1,2,4-triazol-3-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-1,2,4-triazol-3-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-1,2,4-triazol-3-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-1,2,4-triazol-3-yl]phenyl]propionic acid Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)C2=NN(C=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C2=NN(C=N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H17N5O2/c19-17(20)13-6-8-15(9-7-13)23-11-21-18(22-23)14-4-1-12(2-5-14)3-10-16(24)25/h1-2,4-9,11H,3,10H2,(H3,19,20)(H,24,25)