[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCCCO2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCCCO2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO6/c1-21(2,29-16-7-4-14(22)5-8-16)20(25)28-13-19(24)23-15-6-9-17-18(12-15)27-11-3-10-26-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,23,24)