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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H21ClO6 MolecularWeight: 404.84084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H21ClO6/c1-13(23)15-4-5-18(25-2)16(11-15)12-28-20(24)10-14-8-17(22)21-19(9-14)26-6-3-7-27-21/h4-5,8-9,11H,3,6-7,10,12H2,1-2H3