3-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-[2-(1-adamantyl)-2-oxo-ethoxy]benzonitrile CAS Name: 3-[2-(1-adamantyl)-2-oxoethoxy]benzonitrile IUPAC Name: 3-[2-(1-adamantyl)-2-oxoethoxy]benzonitrile Traditional Name: 3-[2-(1-adamantyl)-2-keto-ethoxy]benzonitrile Formula: C19H21NO2 MolecularWeight: 295.37554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC4=CC=CC(=C4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC4=CC=CC(=C4)C#N

InChI

InChI=1S/C19H21NO2/c20-11-13-2-1-3-17(7-13)22-12-18(21)19-8-14-4-15(9-19)6-16(5-14)10-19/h1-3,7,14-16H,4-6,8-10,12H2