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

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-benzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-[(3,5-dimethylisoxazol-4-yl)methoxy]-3-methoxy-benzoate CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3-methoxybenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methoxy]-3-methoxy-benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C22H20BrNO7 MolecularWeight: 490.3007

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO7/c1-12-16(13(2)31-24-12)10-27-18-5-4-14(6-19(18)26-3)22(25)28-9-15-7-20-21(8-17(15)23)30-11-29-20/h4-8H,9-11H2,1-3H3