methyl 1-(2-methyl-6-propan-2-yl-phenyl)-5-(phenylcarbonyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-(2-methyl-6-propan-2-yl-phenyl)-5-(phenylcarbonyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 5-benzoyl-1-(2-isopropyl-6-methyl-phenyl)triazole-4-carboxylate CAS Name: 5-benzoyl-1-(2-methyl-6-propan-2-ylphenyl)-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 5-benzoyl-1-(2-methyl-6-propan-2-ylphenyl)triazole-4-carboxylate Traditional Name: 5-benzoyl-1-(2-isopropyl-6-methyl-phenyl)triazole-4-carboxylic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)N2C(=C(N=N2)C(=O)OC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)N2C(=C(N=N2)C(=O)OC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-13(2)16-12-8-9-14(3)18(16)24-19(17(22-23-24)21(26)27-4)20(25)15-10-6-5-7-11-15/h5-13H,1-4H3