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

Systemtic Name: ethyl 2-[1,3-benzodioxol-5-yl-oxidanyl-(3,4,5-trimethoxyphenyl)methyl]butanoate Openeye Name: ethyl 2-[1,3-benzodioxol-5-yl-hydroxy-(3,4,5-trimethoxyphenyl)methyl]butanoate CAS Name: 2-[1,3-benzodioxol-5-yl-hydroxy-(3,4,5-trimethoxyphenyl)methyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[1,3-benzodioxol-5-yl-hydroxy-(3,4,5-trimethoxyphenyl)methyl]butanoate Traditional Name: 2-[1,3-benzodioxol-5-yl-hydroxy-(3,4,5-trimethoxyphenyl)methyl]butyric acid ethyl ester Formula: C23H28O8 MolecularWeight: 432.46362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)C(C1=CC2=C(C=C1)OCO2)(C3=CC(=C(C(=C3)OC)OC)OC)O

Isomeric SMILES

CCC(C(=O)OCC)C(C1=CC2=C(C=C1)OCO2)(C3=CC(=C(C(=C3)OC)OC)OC)O

InChI

InChI=1S/C23H28O8/c1-6-16(22(24)29-7-2)23(25,14-8-9-17-18(10-14)31-13-30-17)15-11-19(26-3)21(28-5)20(12-15)27-4/h8-12,16,25H,6-7,13H2,1-5H3