2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenoxy]methyl]-6-methyl-benzoic acid

Systemtic Name: 2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenoxy]methyl]-6-methyl-benzoic acid Openeye Name: 2-[[3-[(3,5-dimethylisoxazol-4-yl)methoxy]phenoxy]methyl]-6-methyl-benzoic acid CAS Name: 2-[[3-[(3,5-dimethyl-4-isoxazolyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid IUPAC Name: 2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenoxy]methyl]-6-methylbenzoic acid Traditional Name: 2-[[3-[(3,5-dimethylisoxazol-4-yl)methoxy]phenoxy]methyl]-6-methyl-benzoic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=CC(=CC=C2)OCC3=C(ON=C3C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=CC(=CC=C2)OCC3=C(ON=C3C)C)C(=O)O

InChI

InChI=1S/C21H21NO5/c1-13-6-4-7-16(20(13)21(23)24)11-25-17-8-5-9-18(10-17)26-12-19-14(2)22-27-15(19)3/h4-10H,11-12H2,1-3H3,(H,23,24)