Ketcher 07081511072D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:85628

> <NAME>
tolprocarb

> <DEFINITION>
A carbamate ester that is the 2,2,2-trifluoroethyl ester of [(2S)-3-methyl-1-(4-methylbenzamido)butan-2-yl]carbamic acid. It is a novel systemic fungicide used for controlling rice blast.

> <STAR>
3

> <SYNONYM>
2,2,2-trifluoroethyl N-[(1S)-2-methyl-1-[[(4-methylbenzoyl)amino]methyl]propyl]carbamate; 2,2,2-trifluoroethyl (S)-[2-methyl-1-(p-toluoylaminomethyl)propyl]carbamate

> <IUPAC_NAME>
2,2,2-trifluoroethyl [(2S)-3-methyl-1-(4-methylbenzamido)butan-2-yl]carbamate

> <FORMULA>
C16H21F3N2O3

> <MASS>
346.34470

> <MONOISOTOPIC_MASS>
346.15043

> <CHARGE>
0

> <SMILES>
CC(C)[C@@H](CNC(=O)c1ccc(C)cc1)NC(=O)OCC(F)(F)F

> <INCHI>
InChI=1S/C16H21F3N2O3/c1-10(2)13(21-15(23)24-9-16(17,18)19)8-20-14(22)12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,20,22)(H,21,23)/t13-/m1/s1

> <INCHIKEY>
RSOBJVBYZCMJOS-CYBMUJFWSA-N

> <CAS_REGISTRY_NUMBER>
911499-62-2

> <REAXYS_REGISTRY_NUMBER>
11342132

> <PESTICIDES_ACCESSION>
tolprocarb

$$$$