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

Systemtic Name: [2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl octanoate Openeye Name: [2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl octanoate CAS Name: octanoic acid [2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl ester IUPAC Name: [2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl octanoate Traditional Name: caprylic acid [2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]benzyl] ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3/c1-3-4-5-6-7-15-22(28)30-17-19-11-8-9-14-21(19)24-25-23(26-27-24)18-12-10-13-20(16-18)29-2/h8-14,16H,3-7,15,17H2,1-2H3,(H,25,26,27)