(6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoate CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C21H18BrNO6 MolecularWeight: 460.27472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)OCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)OCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C21H18BrNO6/c1-12-17(13(2)29-23-12)10-25-16-5-3-4-14(6-16)21(24)26-9-15-7-19-20(8-18(15)22)28-11-27-19/h3-8H,9-11H2,1-2H3