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

Systemtic Name: 3-[3-[5-(oxan-2-yloxymethyl)-1,2,4-triazol-1-yl]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-oxo-3-[3-[5-(tetrahydropyran-2-yloxymethyl)-1,2,4-triazol-1-yl]phenyl]propanoic acid CAS Name: 3-[3-[5-(2-oxanyloxymethyl)-1,2,4-triazol-1-yl]phenyl]-3-oxopropanoic acid IUPAC Name: 3-[3-[5-(oxan-2-yloxymethyl)-1,2,4-triazol-1-yl]phenyl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[3-[5-(tetrahydropyran-2-yloxymethyl)-1,2,4-triazol-1-yl]phenyl]propionic acid Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=NC=NN2C3=CC=CC(=C3)C(=O)CC(=O)O

Isomeric SMILES

C1CCOC(C1)OCC2=NC=NN2C3=CC=CC(=C3)C(=O)CC(=O)O

InChI

InChI=1S/C17H19N3O5/c21-14(9-16(22)23)12-4-3-5-13(8-12)20-15(18-11-19-20)10-25-17-6-1-2-7-24-17/h3-5,8,11,17H,1-2,6-7,9-10H2,(H,22,23)