3-[5-[2-(oxan-2-yloxy)ethyl]-1,2,3-triazol-1-yl]benzoic acid

Systemtic Name: 3-[5-[2-(oxan-2-yloxy)ethyl]-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 3-[5-(2-tetrahydropyran-2-yloxyethyl)triazol-1-yl]benzoic acid CAS Name: 3-[5-[2-(2-oxanyloxy)ethyl]-1-triazolyl]benzoic acid IUPAC Name: 3-[5-[2-(oxan-2-yloxy)ethyl]triazol-1-yl]benzoic acid Traditional Name: 3-[5-(2-tetrahydropyran-2-yloxyethyl)triazol-1-yl]benzoic acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCC2=CN=NN2C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CCOC(C1)OCCC2=CN=NN2C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H19N3O4/c20-16(21)12-4-3-5-13(10-12)19-14(11-17-18-19)7-9-23-15-6-1-2-8-22-15/h3-5,10-11,15H,1-2,6-9H2,(H,20,21)