3-oxidanylidenebutan-2-yl 2-[6-(4-methoxyphenyl)carbonyl-1,3-benzodioxol-5-yl]ethanoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-[6-(4-methoxyphenyl)carbonyl-1,3-benzodioxol-5-yl]ethanoate Openeye Name: (1-methyl-2-oxo-propyl) 2-[6-(4-methoxybenzoyl)-1,3-benzodioxol-5-yl]acetate CAS Name: 2-[6-[(4-methoxyphenyl)-oxomethyl]-1,3-benzodioxol-5-yl]acetic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-[6-(4-methoxybenzoyl)-1,3-benzodioxol-5-yl]acetate Traditional Name: 2-(6-p-anisoyl-1,3-benzodioxol-5-yl)acetic acid (2-keto-1-methyl-propyl) ester Formula: C21H20O7 MolecularWeight: 384.3793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)OC)OCO2

Isomeric SMILES

CC(C(=O)C)OC(=O)CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)OC)OCO2

InChI

InChI=1S/C21H20O7/c1-12(22)13(2)28-20(23)9-15-8-18-19(27-11-26-18)10-17(15)21(24)14-4-6-16(25-3)7-5-14/h4-8,10,13H,9,11H2,1-3H3