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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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