(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H23ClO7 MolecularWeight: 422.85612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C21H23ClO7/c1-24-17-6-13(7-18(25-2)21(17)26-3)4-5-19(23)28-11-15-9-16(22)8-14-10-27-12-29-20(14)15/h6-9H,4-5,10-12H2,1-3H3