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

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(tert-butylamino)-1-methyl-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 [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 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-1-methyl-ethyl] ester Formula: C20H27NO6 MolecularWeight: 377.43148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO6/c1-13(19(24)21-20(2,3)4)27-18(23)9-7-15(22)14-6-8-16-17(12-14)26-11-5-10-25-16/h6,8,12-13H,5,7,9-11H2,1-4H3,(H,21,24)