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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1CCC(=O)O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=NN(C(=O)N1CCC(=O)O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

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