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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic 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 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C21H23ClO6 MolecularWeight: 406.85672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClO6/c1-24-17-6-4-14(11-18(17)25-2)5-7-20(23)28-13-15-10-16(22)21-19(12-15)26-8-3-9-27-21/h4,6,10-12H,3,5,7-9,13H2,1-2H3