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

Systemtic Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanoic acid Openeye Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanoic acid CAS Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanoic acid IUPAC Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanoic acid Traditional Name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanoic acid Formula: C15H18ClN3O2 MolecularWeight: 307.77532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O2/c1-2-3-8-15(14(20)21,9-19-11-17-10-18-19)12-4-6-13(16)7-5-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,21)