methyl 4-(1,3-benzodioxol-5-yl)-2-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]butanoate

Systemtic Name: methyl 4-(1,3-benzodioxol-5-yl)-2-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]butanoate Openeye Name: methyl 4-(1,3-benzodioxol-5-yl)-2-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]butanoate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butanoic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-yl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butanoate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-3,5-dimethoxy-benzyl)butyric acid methyl ester Formula: C21H24O7 MolecularWeight: 388.41106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CC(CCC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CC(CCC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C21H24O7/c1-24-18-10-14(11-19(25-2)20(18)22)8-15(21(23)26-3)6-4-13-5-7-16-17(9-13)28-12-27-16/h5,7,9-11,15,22H,4,6,8,12H2,1-3H3