4-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]-3-ethoxy-benzenecarbonitrile

Systemtic Name: 4-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]-3-ethoxy-benzenecarbonitrile Openeye Name: 4-[2-(1-adamantyl)-2-oxo-ethoxy]-3-ethoxy-benzonitrile CAS Name: 4-[2-(1-adamantyl)-2-oxoethoxy]-3-ethoxybenzonitrile IUPAC Name: 4-[2-(1-adamantyl)-2-oxoethoxy]-3-ethoxybenzonitrile Traditional Name: 4-[2-(1-adamantyl)-2-keto-ethoxy]-3-ethoxy-benzonitrile Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H25NO3/c1-2-24-19-8-14(12-22)3-4-18(19)25-13-20(23)21-9-15-5-16(10-21)7-17(6-15)11-21/h3-4,8,15-17H,2,5-7,9-11,13H2,1H3