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

Systemtic Name: 3-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]benzoic acid Openeye Name: 3-[3-methyl-4-(tetrahydropyran-2-yloxymethyl)isoxazol-5-yl]benzoic acid CAS Name: 3-[3-methyl-4-(2-oxanyloxymethyl)-5-isoxazolyl]benzoic acid IUPAC Name: 3-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]benzoic acid Traditional Name: 3-[3-methyl-4-(tetrahydropyran-2-yloxymethyl)isoxazol-5-yl]benzoic acid Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1COC2CCCCO2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC1=NOC(=C1COC2CCCCO2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C17H19NO5/c1-11-14(10-22-15-7-2-3-8-21-15)16(23-18-11)12-5-4-6-13(9-12)17(19)20/h4-6,9,15H,2-3,7-8,10H2,1H3,(H,19,20)