[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC(=O)NC2=CC=CC=C2C(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC(=O)NC2=CC=CC=C2C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-14(2)17-11-7-8-12-18(17)22-19(26)13-28-21(27)20-15(3)23-25(24-20)16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3,(H,22,26)