[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-azanyl-4-methyl-benzoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-azanyl-4-methyl-benzoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-amino-4-methyl-benzoate CAS Name: 3-amino-4-methylbenzoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-amino-4-methylbenzoate Traditional Name: 3-amino-4-methyl-benzoic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)N

InChI

InChI=1S/C16H23N3O4/c1-9-6-7-11(8-12(9)17)14(21)23-10(2)13(20)18-15(22)19-16(3,4)5/h6-8,10H,17H2,1-5H3,(H2,18,19,20,22)/t10-/m1/s1