[2-(tert-butylamino)-2-oxidanylidene-ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyric acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C19H25NO6 MolecularWeight: 363.4049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)CCC(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)CCC(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C19H25NO6/c1-19(2,3)20-17(22)12-26-18(23)8-6-14(21)13-5-7-15-16(11-13)25-10-4-9-24-15/h5,7,11H,4,6,8-10,12H2,1-3H3,(H,20,22)