4-[[3-[(4-cyanophenyl)-methoxy-methyl]-2-oxidanylidene-cyclooctyl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[(4-cyanophenyl)-methoxy-methyl]-2-oxidanylidene-cyclooctyl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-[(4-cyanophenyl)-methoxy-methyl]-2-oxo-cyclooctyl]methyl]benzonitrile CAS Name: 4-[[3-[(4-cyanophenyl)-methoxymethyl]-2-oxocyclooctyl]methyl]benzonitrile IUPAC Name: 4-[[3-[(4-cyanophenyl)-methoxymethyl]-2-oxocyclooctyl]methyl]benzonitrile Traditional Name: 4-[[3-[(4-cyanophenyl)-methoxy-methyl]-2-keto-cyclooctyl]methyl]benzonitrile Formula: C25H26N2O2 MolecularWeight: 386.48614

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1CCCCCC(C1=O)CC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(C1CCCCCC(C1=O)CC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H26N2O2/c1-29-25(21-13-11-20(17-27)12-14-21)23-6-4-2-3-5-22(24(23)28)15-18-7-9-19(16-26)10-8-18/h7-14,22-23,25H,2-6,15H2,1H3