ethyl 4-[2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: ethyl 4-[2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-2-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-2-keto-ethoxy]benzoic acid ethyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NC(C)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H25NO6/c1-3-26-22(25)16-5-8-18(9-6-16)29-14-21(24)23-15(2)17-7-10-19-20(13-17)28-12-4-11-27-19/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,23,24)