3-[3-[3-methoxy-4-(2-methylpropoxy)phenyl]-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid

Systemtic Name: 3-[3-[3-methoxy-4-(2-methylpropoxy)phenyl]-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[3-(4-isobutoxy-3-methoxy-phenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[3-[3-methoxy-4-(2-methylpropoxy)phenyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[3-[3-methoxy-4-(2-methylpropoxy)phenyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[3-(4-isobutoxy-3-methoxy-phenyl)-5-keto-2H-1,2,4-triazin-6-yl]propionic acid Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)O)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)O)OC

InChI

InChI=1S/C17H21N3O5/c1-10(2)9-25-13-6-4-11(8-14(13)24-3)16-18-17(23)12(19-20-16)5-7-15(21)22/h4,6,8,10H,5,7,9H2,1-3H3,(H,21,22)(H,18,20,23)