methyl 8-(4,5-diphenyl-1,2,3-triazol-1-yl)octanoate

Systemtic Name: methyl 8-(4,5-diphenyl-1,2,3-triazol-1-yl)octanoate Openeye Name: methyl 8-(4,5-diphenyltriazol-1-yl)octanoate CAS Name: 8-(4,5-diphenyl-1-triazolyl)octanoic acid methyl ester IUPAC Name: methyl 8-(4,5-diphenyltriazol-1-yl)octanoate Traditional Name: 8-(4,5-diphenyltriazol-1-yl)caprylic acid methyl ester Formula: C23H27N3O2 MolecularWeight: 377.47938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCN1C(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCCCN1C(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2/c1-28-21(27)17-11-3-2-4-12-18-26-23(20-15-9-6-10-16-20)22(24-25-26)19-13-7-5-8-14-19/h5-10,13-16H,2-4,11-12,17-18H2,1H3