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

Systemtic Name: 2-[4-[2-[2-cyclopentyl-4,6-bis(oxidanylidene)oxan-2-yl]ethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[2-(2-cyclopentyl-4,6-dioxo-tetrahydropyran-2-yl)ethyl]phenyl]benzonitrile CAS Name: 2-[4-[2-(2-cyclopentyl-4,6-dioxo-2-oxanyl)ethyl]phenyl]benzonitrile IUPAC Name: 2-[4-[2-(2-cyclopentyl-4,6-dioxooxan-2-yl)ethyl]phenyl]benzonitrile Traditional Name: 2-[4-[2-(2-cyclopentyl-4,6-diketo-tetrahydropyran-2-yl)ethyl]phenyl]benzonitrile Formula: C25H25NO3 MolecularWeight: 387.4709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2(CC(=O)CC(=O)O2)CCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C1CCC(C1)C2(CC(=O)CC(=O)O2)CCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H25NO3/c26-17-20-5-1-4-8-23(20)19-11-9-18(10-12-19)13-14-25(21-6-2-3-7-21)16-22(27)15-24(28)29-25/h1,4-5,8-12,21H,2-3,6-7,13-16H2