[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)C

InChI

InChI=1S/C22H30N4O4/c1-13-8-10-17(11-9-13)12-26-15(3)18(14(2)25-26)20(28)30-16(4)19(27)23-21(29)24-22(5,6)7/h8-11,16H,12H2,1-7H3,(H2,23,24,27,29)/t16-/m1/s1