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

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-(isobutylcarbamoylamino)-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)NCC(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrN2O6/c1-5-6-26-16-13(19)7-12(8-14(16)25-4)17(23)27-10-15(22)21-18(24)20-9-11(2)3/h7-8,11H,5-6,9-10H2,1-4H3,(H2,20,21,22,24)