4-[3-cyclopentyl-4-(2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-yl)-3-oxidanyl-but-1-ynyl]-2-ethyl-N-methyl-benzamide

Systemtic Name: 4-[3-cyclopentyl-4-(2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-yl)-3-oxidanyl-but-1-ynyl]-2-ethyl-N-methyl-benzamide Openeye Name: 4-[3-cyclopentyl-4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-hydroxy-but-1-ynyl]-2-ethyl-N-methyl-benzamide CAS Name: 4-[3-cyclopentyl-4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-hydroxybut-1-ynyl]-2-ethyl-N-methylbenzamide IUPAC Name: 4-[3-cyclopentyl-4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-hydroxybut-1-ynyl]-2-ethyl-N-methylbenzamide Traditional Name: 4-[3-cyclopentyl-3-hydroxy-4-(6-keto-2,2-dimethyl-1,3-dioxin-4-yl)but-1-ynyl]-2-ethyl-N-methyl-benzamide Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C#CC(CC2=CC(=O)OC(O2)(C)C)(C3CCCC3)O)C(=O)NC

Isomeric SMILES

CCC1=C(C=CC(=C1)C#CC(CC2=CC(=O)OC(O2)(C)C)(C3CCCC3)O)C(=O)NC

InChI

InChI=1S/C25H31NO5/c1-5-18-14-17(10-11-21(18)23(28)26-4)12-13-25(29,19-8-6-7-9-19)16-20-15-22(27)31-24(2,3)30-20/h10-11,14-15,19,29H,5-9,16H2,1-4H3,(H,26,28)