4-[(1S,4R)-1-methyl-2-oxidanylidene-4-prop-1-en-2-yl-cyclohexyl]butanenitrile

Systemtic Name: 4-[(1S,4R)-1-methyl-2-oxidanylidene-4-prop-1-en-2-yl-cyclohexyl]butanenitrile Openeye Name: 4-[(1S,4R)-4-isopropenyl-1-methyl-2-oxo-cyclohexyl]butanenitrile CAS Name: 4-[(1S,4R)-1-methyl-4-(1-methylethenyl)-2-oxocyclohexyl]butanenitrile IUPAC Name: 4-[(1S,4R)-1-methyl-2-oxo-4-prop-1-en-2-ylcyclohexyl]butanenitrile Traditional Name: 4-[(1S,4R)-4-isopropenyl-2-keto-1-methyl-cyclohexyl]butyronitrile Formula: C14H21NO MolecularWeight: 219.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(C(=O)C1)(C)CCCC#N

Isomeric SMILES

CC(=C)[C@@H]1CC[C@](C(=O)C1)(C)CCCC#N

InChI

InChI=1S/C14H21NO/c1-11(2)12-6-8-14(3,13(16)10-12)7-4-5-9-15/h12H,1,4-8,10H2,2-3H3/t12-,14+/m1/s1