ethyl 3-(4-chlorophenyl)-2,2-dimethyl-3-oxidanyl-4-(1,2,4-triazol-1-yl)butanoate

Systemtic Name: ethyl 3-(4-chlorophenyl)-2,2-dimethyl-3-oxidanyl-4-(1,2,4-triazol-1-yl)butanoate Openeye Name: ethyl 3-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butanoate CAS Name: 3-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butanoic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butanoate Traditional Name: 3-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butyric acid ethyl ester Formula: C16H20ClN3O3 MolecularWeight: 337.8013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O3/c1-4-23-14(21)15(2,3)16(22,9-20-11-18-10-19-20)12-5-7-13(17)8-6-12/h5-8,10-11,22H,4,9H2,1-3H3