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

Systemtic Name: 2-[4-[3-cyclopentyl-4-(2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-yl)-3-oxidanyl-but-1-ynyl]-2-ethyl-phenyl]ethanenitrile Openeye Name: 2-[4-[3-cyclopentyl-4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-hydroxy-but-1-ynyl]-2-ethyl-phenyl]acetonitrile CAS Name: 2-[4-[3-cyclopentyl-4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-hydroxybut-1-ynyl]-2-ethylphenyl]acetonitrile IUPAC Name: 2-[4-[3-cyclopentyl-4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-hydroxybut-1-ynyl]-2-ethylphenyl]acetonitrile Traditional Name: 2-[4-[3-cyclopentyl-3-hydroxy-4-(6-keto-2,2-dimethyl-1,3-dioxin-4-yl)but-1-ynyl]-2-ethyl-phenyl]acetonitrile Formula: C25H29NO4 MolecularWeight: 407.50206

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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)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO4/c1-4-19-15-18(9-10-20(19)12-14-26)11-13-25(28,21-7-5-6-8-21)17-22-16-23(27)30-24(2,3)29-22/h9-10,15-16,21,28H,4-8,12,17H2,1-3H3