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

Systemtic Name: [2-[3-(3-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl hexanoate Openeye Name: [2-[3-(3-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl hexanoate CAS Name: hexanoic 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 hexanoate Traditional Name: hexanoic acid [2-(3-m-phenetyl-1H-1,2,4-triazol-5-yl)benzyl] ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c1-3-5-6-14-21(27)29-16-18-10-7-8-13-20(18)23-24-22(25-26-23)17-11-9-12-19(15-17)28-4-2/h7-13,15H,3-6,14,16H2,1-2H3,(H,24,25,26)