[(1S,2R)-2-methyl-3-oxidanylidene-1-(3,4,5-trimethoxyphenyl)butyl] 7-methoxy-1,3-benzodioxole-5-carboxylate

Systemtic Name: [(1S,2R)-2-methyl-3-oxidanylidene-1-(3,4,5-trimethoxyphenyl)butyl] 7-methoxy-1,3-benzodioxole-5-carboxylate Openeye Name: [(1S,2R)-2-methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl] 7-methoxy-1,3-benzodioxole-5-carboxylate CAS Name: 7-methoxy-1,3-benzodioxole-5-carboxylic acid [(1S,2R)-2-methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl] ester IUPAC Name: [(1S,2R)-2-methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl] 7-methoxy-1,3-benzodioxole-5-carboxylate Traditional Name: 7-methoxy-piperonylic acid [(1S,2R)-3-keto-2-methyl-1-(3,4,5-trimethoxyphenyl)butyl] ester Formula: C23H26O9 MolecularWeight: 446.44714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC(=C(C(=C1)OC)OC)OC)OC(=O)C2=CC3=C(C(=C2)OC)OCO3)C(=O)C

Isomeric SMILES

C[C@H]([C@@H](C1=CC(=C(C(=C1)OC)OC)OC)OC(=O)C2=CC3=C(C(=C2)OC)OCO3)C(=O)C

InChI

InChI=1S/C23H26O9/c1-12(13(2)24)20(14-7-16(26-3)21(29-6)17(8-14)27-4)32-23(25)15-9-18(28-5)22-19(10-15)30-11-31-22/h7-10,12,20H,11H2,1-6H3/t12-,20-/m0/s1