ethyl 4-[[1-(3,4-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(3,4-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(3,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(3,4-dimethylphenyl)-5-methyl-4-triazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(3,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]benzoic acid ethyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C21H22N4O3/c1-5-28-21(27)16-7-9-17(10-8-16)22-20(26)19-15(4)25(24-23-19)18-11-6-13(2)14(3)12-18/h6-12H,5H2,1-4H3,(H,22,26)