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

Systemtic Name: [2-[3-(3-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl decanoate Openeye Name: [2-[3-(3-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl decanoate CAS Name: decanoic 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 decanoate Traditional Name: capric acid [2-(3-m-phenetyl-1H-1,2,4-triazol-5-yl)benzyl] ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O3/c1-3-5-6-7-8-9-10-18-25(31)33-20-22-14-11-12-17-24(22)27-28-26(29-30-27)21-15-13-16-23(19-21)32-4-2/h11-17,19H,3-10,18,20H2,1-2H3,(H,28,29,30)