(2S)-2-(2,6-dimethoxy-4-pentyl-phenyl)-4-oxidanylidene-cyclohexane-1,1-dicarbonitrile

Systemtic Name: (2S)-2-(2,6-dimethoxy-4-pentyl-phenyl)-4-oxidanylidene-cyclohexane-1,1-dicarbonitrile Openeye Name: (2S)-2-(2,6-dimethoxy-4-pentyl-phenyl)-4-oxo-cyclohexane-1,1-dicarbonitrile CAS Name: (2S)-2-(2,6-dimethoxy-4-pentylphenyl)-4-oxocyclohexane-1,1-dicarbonitrile IUPAC Name: (2S)-2-(2,6-dimethoxy-4-pentylphenyl)-4-oxocyclohexane-1,1-dicarbonitrile Traditional Name: (2S)-2-(4-amyl-2,6-dimethoxy-phenyl)-4-keto-cyclohexane-1,1-dicarbonitrile Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)OC)C2CC(=O)CCC2(C#N)C#N)OC

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)OC)[C@H]2CC(=O)CCC2(C#N)C#N)OC

InChI

InChI=1S/C21H26N2O3/c1-4-5-6-7-15-10-18(25-2)20(19(11-15)26-3)17-12-16(24)8-9-21(17,13-22)14-23/h10-11,17H,4-9,12H2,1-3H3/t17-/m1/s1