2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanoic acid

Systemtic Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanoic acid Openeye Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanoic acid CAS Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanoic acid IUPAC Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanoic acid Traditional Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butyric acid Formula: C13H14ClN3O2 MolecularWeight: 279.72216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O2/c1-2-13(12(18)19,7-17-9-15-8-16-17)10-3-5-11(14)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,18,19)