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

Systemtic Name: 3-[5-(oxan-2-yloxymethyl)-1,2,4-triazol-1-yl]benzoic acid Openeye Name: 3-[5-(tetrahydropyran-2-yloxymethyl)-1,2,4-triazol-1-yl]benzoic acid CAS Name: 3-[5-(2-oxanyloxymethyl)-1,2,4-triazol-1-yl]benzoic acid IUPAC Name: 3-[5-(oxan-2-yloxymethyl)-1,2,4-triazol-1-yl]benzoic acid Traditional Name: 3-[5-(tetrahydropyran-2-yloxymethyl)-1,2,4-triazol-1-yl]benzoic acid Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4/c19-15(20)11-4-3-5-12(8-11)18-13(16-10-17-18)9-22-14-6-1-2-7-21-14/h3-5,8,10,14H,1-2,6-7,9H2,(H,19,20)