methyl 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanoyl]-3-methyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanoyl]-3-methyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetyl]-3-methyl-phenoxy]acetate CAS Name: 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-oxoethyl]-3-methylphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetyl]-3-methylphenoxy]acetate Traditional Name: 2-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetyl]-3-methyl-phenoxy]acetic acid methyl ester Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)OC)C(=O)CC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)OC)C(=O)CC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H22O6/c1-14-10-16(27-13-21(23)24-2)5-6-17(14)18(22)11-15-4-7-19-20(12-15)26-9-3-8-25-19/h4-7,10,12H,3,8-9,11,13H2,1-2H3