1-[2-(4-chloranylphenoxy)-2-(1,2,4-triazol-1-yl)ethanoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-(4-chloranylphenoxy)-2-(1,2,4-triazol-1-yl)ethanoyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-(4-chlorophenoxy)-2-(1,2,4-triazol-1-yl)acetyl]cyclohexanecarboxylic acid CAS Name: 1-[2-(4-chlorophenoxy)-1-oxo-2-(1,2,4-triazol-1-yl)ethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(4-chlorophenoxy)-2-(1,2,4-triazol-1-yl)acetyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-(4-chlorophenoxy)-2-(1,2,4-triazol-1-yl)acetyl]cyclohexanecarboxylic acid Formula: C17H18ClN3O4 MolecularWeight: 363.79552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)C(N2C=NC=N2)OC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CCC(CC1)(C(=O)C(N2C=NC=N2)OC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C17H18ClN3O4/c18-12-4-6-13(7-5-12)25-15(21-11-19-10-20-21)14(22)17(16(23)24)8-2-1-3-9-17/h4-7,10-11,15H,1-3,8-9H2,(H,23,24)