[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)OC(C(C)C)C(=O)NC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)O[C@H](C(C)C)C(=O)NC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C23H24N4O4/c1-14(2)20(21(28)25-23(24)30)31-22(29)18-13-27(17-10-5-4-6-11-17)26-19(18)16-9-7-8-15(3)12-16/h4-14,20H,1-3H3,(H3,24,25,28,30)/t20-/m1/s1