3-(4-chlorophenyl)-6,6-dimethyl-5-oxidanylidene-4-(1,2,4-triazol-1-yl)heptanoic acid

Systemtic Name: 3-(4-chlorophenyl)-6,6-dimethyl-5-oxidanylidene-4-(1,2,4-triazol-1-yl)heptanoic acid Openeye Name: 3-(4-chlorophenyl)-6,6-dimethyl-5-oxo-4-(1,2,4-triazol-1-yl)heptanoic acid CAS Name: 3-(4-chlorophenyl)-6,6-dimethyl-5-oxo-4-(1,2,4-triazol-1-yl)heptanoic acid IUPAC Name: 3-(4-chlorophenyl)-6,6-dimethyl-5-oxo-4-(1,2,4-triazol-1-yl)heptanoic acid Traditional Name: 3-(4-chlorophenyl)-5-keto-6,6-dimethyl-4-(1,2,4-triazol-1-yl)enanthic acid Formula: C17H20ClN3O3 MolecularWeight: 349.812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C(CC(=O)O)C1=CC=C(C=C1)Cl)N2C=NC=N2

Isomeric SMILES

CC(C)(C)C(=O)C(C(CC(=O)O)C1=CC=C(C=C1)Cl)N2C=NC=N2

InChI

InChI=1S/C17H20ClN3O3/c1-17(2,3)16(24)15(21-10-19-9-20-21)13(8-14(22)23)11-4-6-12(18)7-5-11/h4-7,9-10,13,15H,8H2,1-3H3,(H,22,23)