[(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-methylbenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-methylbenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(1R)-2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(N(N=C2C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=C(N(N=C2C)C)C

InChI

InChI=1S/C17H21N3O3/c1-10-6-8-14(9-7-10)17(22)23-13(4)16(21)18-15-11(2)19-20(5)12(15)3/h6-9,13H,1-5H3,(H,18,21)/t13-/m1/s1