3-[3-(1-hydroxyethyl)-5-oxidanylidene-4-(2-phenoxyethyl)-1,2,4-triazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(1-hydroxyethyl)-5-oxidanylidene-4-(2-phenoxyethyl)-1,2,4-triazol-1-yl]propanoic acid Openeye Name: 3-[3-(1-hydroxyethyl)-5-oxo-4-(2-phenoxyethyl)-1,2,4-triazol-1-yl]propanoic acid CAS Name: 3-[3-(1-hydroxyethyl)-5-oxo-4-(2-phenoxyethyl)-1,2,4-triazol-1-yl]propanoic acid IUPAC Name: 3-[3-(1-hydroxyethyl)-5-oxo-4-(2-phenoxyethyl)-1,2,4-triazol-1-yl]propanoic acid Traditional Name: 3-[3-(1-hydroxyethyl)-5-keto-4-(2-phenoxyethyl)-1,2,4-triazol-1-yl]propionic acid Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN(C(=O)N1CCOC2=CC=CC=C2)CCC(=O)O)O

Isomeric SMILES

CC(C1=NN(C(=O)N1CCOC2=CC=CC=C2)CCC(=O)O)O

InChI

InChI=1S/C15H19N3O5/c1-11(19)14-16-18(8-7-13(20)21)15(22)17(14)9-10-23-12-5-3-2-4-6-12/h2-6,11,19H,7-10H2,1H3,(H,20,21)