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

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-butoxy-3-chloranyl-5-methoxy-benzoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-butoxy-3-chloro-5-methoxy-benzoate CAS Name: 4-butoxy-3-chloro-5-methoxybenzoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxy-3-chloro-5-methoxybenzoate Traditional Name: 4-butoxy-3-chloro-5-methoxy-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:

CCCCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)OC

InChI

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