(phenylmethyl) 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanoate

Systemtic Name: (phenylmethyl) 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanoate Openeye Name: benzyl 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanoate CAS Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanoate Traditional Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butyric acid benzyl ester Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3O2/c1-2-20(13-24-15-22-14-23-24,17-8-10-18(21)11-9-17)19(25)26-12-16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3