ethyl 5-(2-azanyl-4-methyl-phenyl)carbonyl-1-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-(2-azanyl-4-methyl-phenyl)carbonyl-1-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(2-amino-4-methyl-benzoyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate CAS Name: 5-[(2-amino-4-methylphenyl)-oxomethyl]-1-[(4-methoxyphenyl)methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-amino-4-methylbenzoyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate Traditional Name: 5-(2-amino-4-methyl-benzoyl)-1-p-anisyl-triazole-4-carboxylic acid ethyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)CC2=CC=C(C=C2)OC)C(=O)C3=C(C=C(C=C3)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)CC2=CC=C(C=C2)OC)C(=O)C3=C(C=C(C=C3)C)N

InChI

InChI=1S/C21H22N4O4/c1-4-29-21(27)18-19(20(26)16-10-5-13(2)11-17(16)22)25(24-23-18)12-14-6-8-15(28-3)9-7-14/h5-11H,4,12,22H2,1-3H3