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

Systemtic Name: 3-[4-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]benzoic acid Openeye Name: 3-[4-(tetrahydropyran-2-yloxymethyl)isoxazol-3-yl]benzoic acid CAS Name: 3-[4-(2-oxanyloxymethyl)-3-isoxazolyl]benzoic acid IUPAC Name: 3-[4-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]benzoic acid Traditional Name: 3-[4-(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=CON=C2C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1CCOC(C1)OCC2=CON=C2C3=CC(=CC=C3)C(=O)O

InChI

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