2-[(S)-1,3-benzodioxol-5-yl-[(1R)-1-methyl-2-oxidanylidene-cyclohexyl]methyl]-2-prop-2-enyl-propanedinitrile

Systemtic Name: 2-[(S)-1,3-benzodioxol-5-yl-[(1R)-1-methyl-2-oxidanylidene-cyclohexyl]methyl]-2-prop-2-enyl-propanedinitrile Openeye Name: 2-allyl-2-[(S)-1,3-benzodioxol-5-yl-[(1R)-1-methyl-2-oxo-cyclohexyl]methyl]propanedinitrile CAS Name: 2-[(S)-1,3-benzodioxol-5-yl-[(1R)-1-methyl-2-oxocyclohexyl]methyl]-2-prop-2-enylpropanedinitrile IUPAC Name: 2-[(S)-1,3-benzodioxol-5-yl-[(1R)-1-methyl-2-oxocyclohexyl]methyl]-2-prop-2-enylpropanedinitrile Traditional Name: 2-allyl-2-[(S)-1,3-benzodioxol-5-yl-[(1R)-2-keto-1-methyl-cyclohexyl]methyl]malononitrile Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1=O)C(C2=CC3=C(C=C2)OCO3)C(CC=C)(C#N)C#N

Isomeric SMILES

C[C@@]1(CCCCC1=O)[C@@H](C2=CC3=C(C=C2)OCO3)C(CC=C)(C#N)C#N

InChI

InChI=1S/C21H22N2O3/c1-3-9-21(12-22,13-23)19(20(2)10-5-4-6-18(20)24)15-7-8-16-17(11-15)26-14-25-16/h3,7-8,11,19H,1,4-6,9-10,14H2,2H3/t19-,20+/m1/s1