[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(4-ethoxyphenoxy)ethanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(4-ethoxyphenoxy)ethanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2-(4-ethoxyphenoxy)acetate CAS Name: 2-(4-ethoxyphenoxy)acetic 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-ethoxyphenoxy)acetate Traditional Name: 2-(4-ethoxyphenoxy)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H23NO7/c1-2-25-16-5-7-17(8-6-16)28-14-21(24)29-13-20(23)22-15-4-9-18-19(12-15)27-11-3-10-26-18/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,22,23)