(2,4,6-trimethylcyclohexyl) 2-chloranyl-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanoate

Systemtic Name: (2,4,6-trimethylcyclohexyl) 2-chloranyl-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanoate Openeye Name: (2,4,6-trimethylcyclohexyl) 2-chloro-2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]acetate CAS Name: 2-chloro-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]acetic acid (2,4,6-trimethylcyclohexyl) ester IUPAC Name: (2,4,6-trimethylcyclohexyl) 2-chloro-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]acetate Traditional Name: 2-chloro-2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]acetic acid (2,4,6-trimethylcyclohexyl) ester Formula: C20H26ClN3O2 MolecularWeight: 375.89234

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C)OC(=O)C(C2=NC(=NN2)C3=CC=C(C=C3)C)Cl)C

Isomeric SMILES

CC1CC(C(C(C1)C)OC(=O)C(C2=NC(=NN2)C3=CC=C(C=C3)C)Cl)C

InChI

InChI=1S/C20H26ClN3O2/c1-11-5-7-15(8-6-11)18-22-19(24-23-18)16(21)20(25)26-17-13(3)9-12(2)10-14(17)4/h5-8,12-14,16-17H,9-10H2,1-4H3,(H,22,23,24)