(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C21H23ClO6 MolecularWeight: 406.85672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)OC

InChI

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