[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxylate CAS Name: 2-(2,4-dimethylphenyl)-5-methyl-4-triazolecarboxylic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate Traditional Name: 2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxylic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)OC(C)C(=O)NC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)O[C@H](C)C(=O)NC3=CC=CC=C3)C)C

InChI

InChI=1S/C21H22N4O3/c1-13-10-11-18(14(2)12-13)25-23-15(3)19(24-25)21(27)28-16(4)20(26)22-17-8-6-5-7-9-17/h5-12,16H,1-4H3,(H,22,26)/t16-/m1/s1