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

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

CN1C(=NN(C1=O)C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C(=NN(C1=O)C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

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