[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H29ClN2O6 MolecularWeight: 428.90706

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)OCC

InChI

InChI=1S/C20H29ClN2O6/c1-7-9-28-16-14(21)10-13(11-15(16)27-8-2)18(25)29-12(3)17(24)22-19(26)23-20(4,5)6/h10-12H,7-9H2,1-6H3,(H2,22,23,24,26)/t12-/m1/s1