[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-cyclopentanecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarboxylic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1(CCCC1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1(CCCC1)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H28N2O6/c1-20(2,3)23-19(26)22-17(24)13-29-18(25)21(8-4-5-9-21)14-6-7-15-16(12-14)28-11-10-27-15/h6-7,12H,4-5,8-11,13H2,1-3H3,(H2,22,23,24,26)