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

Systemtic Name: [2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl dodecanoate Openeye Name: [2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl dodecanoate CAS Name: dodecanoic 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 dodecanoate Traditional Name: lauric acid [2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]benzyl] ester Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O3/c1-3-4-5-6-7-8-9-10-11-19-26(32)34-21-23-15-12-13-18-25(23)28-29-27(30-31-28)22-16-14-17-24(20-22)33-2/h12-18,20H,3-11,19,21H2,1-2H3,(H,29,30,31)