[2-[3-(3-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl octanoate

Systemtic Name: [2-[3-(3-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl octanoate Openeye Name: [2-[3-(3-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl octanoate CAS Name: octanoic acid [2-[3-(3-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl ester IUPAC Name: [2-[3-(3-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl octanoate Traditional Name: caprylic acid [2-(3-m-phenetyl-1H-1,2,4-triazol-5-yl)benzyl] ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1=CC=CC=C1C2=NC(=NN2)C3=CC(=CC=C3)OCC

Isomeric SMILES

CCCCCCCC(=O)OCC1=CC=CC=C1C2=NC(=NN2)C3=CC(=CC=C3)OCC

InChI

InChI=1S/C25H31N3O3/c1-3-5-6-7-8-16-23(29)31-18-20-12-9-10-15-22(20)25-26-24(27-28-25)19-13-11-14-21(17-19)30-4-2/h9-15,17H,3-8,16,18H2,1-2H3,(H,26,27,28)