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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)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-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C20H21ClO6 MolecularWeight: 392.83014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)OC

InChI

InChI=1S/C20H21ClO6/c1-23-16-5-4-13(9-17(16)24-2)11-19(22)27-12-14-8-15(21)20-18(10-14)25-6-3-7-26-20/h4-5,8-10H,3,6-7,11-12H2,1-2H3