methyl 7-[[2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]carbonylamino]heptanoate Openeye Name: methyl 7-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]heptanoate CAS Name: 7-[[[2-(2,4-dimethylphenyl)-5-methyl-4-triazolyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]heptanoate Traditional Name: 7-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]enanthic acid methyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NCCCCCCC(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NCCCCCCC(=O)OC)C)C

InChI

InChI=1S/C20H28N4O3/c1-14-10-11-17(15(2)13-14)24-22-16(3)19(23-24)20(26)21-12-8-6-5-7-9-18(25)27-4/h10-11,13H,5-9,12H2,1-4H3,(H,21,26)