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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCN1N=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCCCN1N=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

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