[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OC(C)C(=O)N)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)O[C@H](C)C(=O)N)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O3/c1-14-9-10-18(11-15(14)2)20-19(22(27)28-16(3)21(23)26)13-25(24-20)12-17-7-5-4-6-8-17/h4-11,13,16H,12H2,1-3H3,(H2,23,26)/t16-/m1/s1