2-[4-[2-[2-cyclopentyl-4,6-bis(oxidanylidene)oxan-2-yl]ethyl]-2-ethyl-phenyl]ethanenitrile

Systemtic Name: 2-[4-[2-[2-cyclopentyl-4,6-bis(oxidanylidene)oxan-2-yl]ethyl]-2-ethyl-phenyl]ethanenitrile Openeye Name: 2-[4-[2-(2-cyclopentyl-4,6-dioxo-tetrahydropyran-2-yl)ethyl]-2-ethyl-phenyl]acetonitrile CAS Name: 2-[4-[2-(2-cyclopentyl-4,6-dioxo-2-oxanyl)ethyl]-2-ethylphenyl]acetonitrile IUPAC Name: 2-[4-[2-(2-cyclopentyl-4,6-dioxooxan-2-yl)ethyl]-2-ethylphenyl]acetonitrile Traditional Name: 2-[4-[2-(2-cyclopentyl-4,6-diketo-tetrahydropyran-2-yl)ethyl]-2-ethyl-phenyl]acetonitrile Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CCC2(CC(=O)CC(=O)O2)C3CCCC3)CC#N

Isomeric SMILES

CCC1=C(C=CC(=C1)CCC2(CC(=O)CC(=O)O2)C3CCCC3)CC#N

InChI

InChI=1S/C22H27NO3/c1-2-17-13-16(7-8-18(17)10-12-23)9-11-22(19-5-3-4-6-19)15-20(24)14-21(25)26-22/h7-8,13,19H,2-6,9-11,14-15H2,1H3