3-[3-[4-(4-carbamimidoylphenyl)phenyl]-1H-1,2,4-triazol-5-yl]propanoic acid

Systemtic Name: 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-1H-1,2,4-triazol-5-yl]propanoic acid Openeye Name: 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-1H-1,2,4-triazol-5-yl]propanoic acid CAS Name: 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-1H-1,2,4-triazol-5-yl]propanoic acid IUPAC Name: 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-1H-1,2,4-triazol-5-yl]propanoic acid Traditional Name: 3-[3-[4-(4-amidinophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propionic acid Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)C(=N)N)C3=NNC(=N3)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)C(=N)N)C3=NNC(=N3)CCC(=O)O

InChI

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