2-[(S)-[(1R)-1-methyl-2-oxidanylidene-cyclohexyl]-phenyl-methyl]-2-(2-methylprop-2-enyl)propanedinitrile

Systemtic Name: 2-[(S)-[(1R)-1-methyl-2-oxidanylidene-cyclohexyl]-phenyl-methyl]-2-(2-methylprop-2-enyl)propanedinitrile Openeye Name: 2-(2-methylallyl)-2-[(S)-[(1R)-1-methyl-2-oxo-cyclohexyl]-phenyl-methyl]propanedinitrile CAS Name: 2-[(S)-[(1R)-1-methyl-2-oxocyclohexyl]-phenylmethyl]-2-(2-methylprop-2-enyl)propanedinitrile IUPAC Name: 2-[(S)-[(1R)-1-methyl-2-oxocyclohexyl]-phenylmethyl]-2-(2-methylprop-2-enyl)propanedinitrile Traditional Name: 2-[(S)-[(1R)-2-keto-1-methyl-cyclohexyl]-phenyl-methyl]-2-(2-methylallyl)malononitrile Formula: C21H24N2O MolecularWeight: 320.42806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(C#N)(C#N)C(C1=CC=CC=C1)C2(CCCCC2=O)C

Isomeric SMILES

CC(=C)CC(C#N)(C#N)[C@H](C1=CC=CC=C1)[C@]2(CCCCC2=O)C

InChI

InChI=1S/C21H24N2O/c1-16(2)13-21(14-22,15-23)19(17-9-5-4-6-10-17)20(3)12-8-7-11-18(20)24/h4-6,9-10,19H,1,7-8,11-13H2,2-3H3/t19-,20+/m1/s1