3-[4-[2-[2-cyclopentyl-4,6-bis(oxidanylidene)oxan-2-yl]ethyl]phenyl]benzenecarbonitrile

Systemtic Name: 3-[4-[2-[2-cyclopentyl-4,6-bis(oxidanylidene)oxan-2-yl]ethyl]phenyl]benzenecarbonitrile Openeye Name: 3-[4-[2-(2-cyclopentyl-4,6-dioxo-tetrahydropyran-2-yl)ethyl]phenyl]benzonitrile CAS Name: 3-[4-[2-(2-cyclopentyl-4,6-dioxo-2-oxanyl)ethyl]phenyl]benzonitrile IUPAC Name: 3-[4-[2-(2-cyclopentyl-4,6-dioxooxan-2-yl)ethyl]phenyl]benzonitrile Traditional Name: 3-[4-[2-(2-cyclopentyl-4,6-diketo-tetrahydropyran-2-yl)ethyl]phenyl]benzonitrile Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO3/c26-17-19-4-3-5-21(14-19)20-10-8-18(9-11-20)12-13-25(22-6-1-2-7-22)16-23(27)15-24(28)29-25/h3-5,8-11,14,22H,1-2,6-7,12-13,15-16H2