[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H25BrN2O6 MolecularWeight: 445.3049

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC(=O)NC(C)(C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC(=O)NC(C)(C)C)OC

InChI

InChI=1S/C18H25BrN2O6/c1-6-7-26-15-12(19)8-11(9-13(15)25-5)16(23)27-10-14(22)20-17(24)21-18(2,3)4/h8-9H,6-7,10H2,1-5H3,(H2,20,21,22,24)