[2-[2-ethoxy-6-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl decanoate

Systemtic Name: [2-[2-ethoxy-6-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl decanoate Openeye Name: [2-[2-ethoxy-6-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl decanoate CAS Name: decanoic acid [2-[2-ethoxy-6-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl ester IUPAC Name: [2-[2-ethoxy-6-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl decanoate Traditional Name: capric acid [2-[2-ethoxy-6-(1H-1,2,4-triazol-5-yl)phenyl]benzyl] ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OCC1=CC=CC=C1C2=C(C=CC=C2OCC)C3=NC=NN3

Isomeric SMILES

CCCCCCCCCC(=O)OCC1=CC=CC=C1C2=C(C=CC=C2OCC)C3=NC=NN3

InChI

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