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

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]propionic acid Formula: C19H19N5O2 MolecularWeight: 349.38646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C19H19N5O2/c1-12-22-19(15-5-2-13(3-6-15)4-11-17(25)26)23-24(12)16-9-7-14(8-10-16)18(20)21/h2-3,5-10H,4,11H2,1H3,(H3,20,21)(H,25,26)