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

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-ethyl-5-oxidanylidene-1,2,4-triazol-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-ethyl-5-oxo-1,2,4-triazol-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-ethyl-5-oxo-1,2,4-triazol-4-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-ethyl-5-oxo-1,2,4-triazol-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-3-ethyl-5-keto-1,2,4-triazol-4-yl]phenyl]propionic acid Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)N1C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=NN(C(=O)N1C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H21N5O3/c1-2-17-23-25(16-10-6-14(7-11-16)19(21)22)20(28)24(17)15-8-3-13(4-9-15)5-12-18(26)27/h3-4,6-11H,2,5,12H2,1H3,(H3,21,22)(H,26,27)