(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H23ClO6 MolecularWeight: 406.85672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)OC

InChI

InChI=1S/C21H23ClO6/c1-13(2)9-26-18-5-4-14(8-19(18)24-3)21(23)27-11-16-7-17(22)6-15-10-25-12-28-20(15)16/h4-8,13H,9-12H2,1-3H3