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

Systemtic Name: 3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]benzoic acid Openeye Name: 3-[5-(tetrahydropyran-2-yloxymethyl)isoxazol-3-yl]benzoic acid CAS Name: 3-[5-(2-oxanyloxymethyl)-3-isoxazolyl]benzoic acid IUPAC Name: 3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]benzoic acid Traditional Name: 3-[5-(tetrahydropyran-2-yloxymethyl)isoxazol-3-yl]benzoic acid Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=CC(=NO2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1CCOC(C1)OCC2=CC(=NO2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C16H17NO5/c18-16(19)12-5-3-4-11(8-12)14-9-13(22-17-14)10-21-15-6-1-2-7-20-15/h3-5,8-9,15H,1-2,6-7,10H2,(H,18,19)