methyl 4-(1,3-benzodioxol-5-yl)-2-[(3,4,5-trimethoxyphenyl)methyl]butanoate

Systemtic Name: methyl 4-(1,3-benzodioxol-5-yl)-2-[(3,4,5-trimethoxyphenyl)methyl]butanoate Openeye Name: methyl 4-(1,3-benzodioxol-5-yl)-2-[(3,4,5-trimethoxyphenyl)methyl]butanoate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-yl)-2-[(3,4,5-trimethoxyphenyl)methyl]butanoate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxybenzyl)butyric acid methyl ester Formula: C22H26O7 MolecularWeight: 402.43764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(CCC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(CCC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C22H26O7/c1-24-19-11-15(12-20(25-2)21(19)26-3)9-16(22(23)27-4)7-5-14-6-8-17-18(10-14)29-13-28-17/h6,8,10-12,16H,5,7,9,13H2,1-4H3