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

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[4-(4-amidinophenyl)-5-keto-3-methyl-1,2,4-triazol-1-yl]phenyl]propionic acid Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C19H19N5O3/c1-12-22-24(16-7-2-13(3-8-16)4-11-17(25)26)19(27)23(12)15-9-5-14(6-10-15)18(20)21/h2-3,5-10H,4,11H2,1H3,(H3,20,21)(H,25,26)