(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(3,4,5-trimethoxyphenyl)ethanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(3,4,5-trimethoxyphenyl)ethanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(3,4,5-trimethoxyphenyl)acetate CAS Name: 2-(3,4,5-trimethoxyphenyl)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(3,4,5-trimethoxyphenyl)acetate Traditional Name: 2-(3,4,5-trimethoxyphenyl)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C21H23ClO7 MolecularWeight: 422.85612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H23ClO7/c1-24-16-8-13(9-17(25-2)21(16)26-3)11-19(23)29-12-14-7-15(22)20-18(10-14)27-5-4-6-28-20/h7-10H,4-6,11-12H2,1-3H3