2-[4-[3-cyclopentyl-4-(2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-yl)-3-oxidanyl-but-1-ynyl]-2-fluoranyl-phenyl]-2-ethyl-butanenitrile

Systemtic Name: 2-[4-[3-cyclopentyl-4-(2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-yl)-3-oxidanyl-but-1-ynyl]-2-fluoranyl-phenyl]-2-ethyl-butanenitrile Openeye Name: 2-[4-[3-cyclopentyl-4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-hydroxy-but-1-ynyl]-2-fluoro-phenyl]-2-ethyl-butanenitrile CAS Name: 2-[4-[3-cyclopentyl-4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-hydroxybut-1-ynyl]-2-fluorophenyl]-2-ethylbutanenitrile IUPAC Name: 2-[4-[3-cyclopentyl-4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-hydroxybut-1-ynyl]-2-fluorophenyl]-2-ethylbutanenitrile Traditional Name: 2-[4-[3-cyclopentyl-3-hydroxy-4-(6-keto-2,2-dimethyl-1,3-dioxin-4-yl)but-1-ynyl]-2-fluoro-phenyl]-2-ethyl-butyronitrile Formula: C27H32FNO4 MolecularWeight: 453.545683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#N)C1=C(C=C(C=C1)C#CC(CC2=CC(=O)OC(O2)(C)C)(C3CCCC3)O)F

Isomeric SMILES

CCC(CC)(C#N)C1=C(C=C(C=C1)C#CC(CC2=CC(=O)OC(O2)(C)C)(C3CCCC3)O)F

InChI

InChI=1S/C27H32FNO4/c1-5-26(6-2,18-29)22-12-11-19(15-23(22)28)13-14-27(31,20-9-7-8-10-20)17-21-16-24(30)33-25(3,4)32-21/h11-12,15-16,20,31H,5-10,17H2,1-4H3