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

Systemtic Name: 3-[3-[4-(cyclobutylmethoxy)-3-methoxy-phenyl]-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[3-[4-(cyclobutylmethoxy)-3-methoxy-phenyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[3-[4-(cyclobutylmethoxy)-3-methoxy-phenyl]-5-keto-2H-1,2,4-triazin-6-yl]propionic acid Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC(=O)C(=NN2)CCC(=O)O)OCC3CCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC(=O)C(=NN2)CCC(=O)O)OCC3CCC3

InChI

InChI=1S/C18H21N3O5/c1-25-15-9-12(5-7-14(15)26-10-11-3-2-4-11)17-19-18(24)13(20-21-17)6-8-16(22)23/h5,7,9,11H,2-4,6,8,10H2,1H3,(H,22,23)(H,19,21,24)