[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)OCC

InChI

InChI=1S/C20H30N2O6/c1-7-11-27-15-10-9-14(12-16(15)26-8-2)18(24)28-13(3)17(23)21-19(25)22-20(4,5)6/h9-10,12-13H,7-8,11H2,1-6H3,(H2,21,22,23,25)