ethyl 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanoate

Systemtic Name: ethyl 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanoate Openeye Name: ethyl 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanoate CAS Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanoic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanoate Traditional Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanoic acid ethyl ester Formula: C17H22ClN3O2 MolecularWeight: 335.82848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CCCCC(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C17H22ClN3O2/c1-3-5-10-17(16(22)23-4-2,11-21-13-19-12-20-21)14-6-8-15(18)9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3