2-[(S)-(3-methoxyphenyl)-[(1R)-1-methyl-2-oxidanylidene-cyclohexyl]methyl]-2-prop-2-enyl-propanedinitrile

Systemtic Name: 2-[(S)-(3-methoxyphenyl)-[(1R)-1-methyl-2-oxidanylidene-cyclohexyl]methyl]-2-prop-2-enyl-propanedinitrile Openeye Name: 2-allyl-2-[(S)-(3-methoxyphenyl)-[(1R)-1-methyl-2-oxo-cyclohexyl]methyl]propanedinitrile CAS Name: 2-[(S)-(3-methoxyphenyl)-[(1R)-1-methyl-2-oxocyclohexyl]methyl]-2-prop-2-enylpropanedinitrile IUPAC Name: 2-[(S)-(3-methoxyphenyl)-[(1R)-1-methyl-2-oxocyclohexyl]methyl]-2-prop-2-enylpropanedinitrile Traditional Name: 2-allyl-2-[(S)-[(1R)-2-keto-1-methyl-cyclohexyl]-(3-methoxyphenyl)methyl]malononitrile Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1=O)C(C2=CC(=CC=C2)OC)C(CC=C)(C#N)C#N

Isomeric SMILES

C[C@@]1(CCCCC1=O)[C@@H](C2=CC(=CC=C2)OC)C(CC=C)(C#N)C#N

InChI

InChI=1S/C21H24N2O2/c1-4-11-21(14-22,15-23)19(16-8-7-9-17(13-16)25-3)20(2)12-6-5-10-18(20)24/h4,7-9,13,19H,1,5-6,10-12H2,2-3H3/t19-,20+/m1/s1