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

Systemtic Name: 3-[3-(3-methoxy-4-phenylmethoxy-phenyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[3-(4-benzyloxy-3-methoxy-phenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[3-(3-methoxy-4-phenylmethoxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[3-(3-methoxy-4-phenylmethoxyphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[3-(4-benzoxy-3-methoxy-phenyl)-5-keto-2H-1,2,4-triazin-6-yl]propionic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC(=O)C(=NN2)CCC(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC(=O)C(=NN2)CCC(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O5/c1-27-17-11-14(7-9-16(17)28-12-13-5-3-2-4-6-13)19-21-20(26)15(22-23-19)8-10-18(24)25/h2-7,9,11H,8,10,12H2,1H3,(H,24,25)(H,21,23,26)