4-[(1R,3R,6S)-1,6-dimethyl-2-methylidene-3-(2-oxidanylideneethyl)cyclohexyl]butanenitrile

Systemtic Name: 4-[(1R,3R,6S)-1,6-dimethyl-2-methylidene-3-(2-oxidanylideneethyl)cyclohexyl]butanenitrile Openeye Name: 4-[(1R,3R,6S)-1,6-dimethyl-2-methylene-3-(2-oxoethyl)cyclohexyl]butanenitrile CAS Name: 4-[(1R,3R,6S)-1,6-dimethyl-2-methylene-3-(2-oxoethyl)cyclohexyl]butanenitrile IUPAC Name: 4-[(1R,3R,6S)-1,6-dimethyl-2-methylidene-3-(2-oxoethyl)cyclohexyl]butanenitrile Traditional Name: 4-[(1R,3R,6S)-3-(2-ketoethyl)-1,6-dimethyl-2-methylene-cyclohexyl]butyronitrile Formula: C15H23NO MolecularWeight: 233.34922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=C)C1(C)CCCC#N)CC=O

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO/c1-12-6-7-14(8-11-17)13(2)15(12,3)9-4-5-10-16/h11-12,14H,2,4-9H2,1,3H3/t12-,14+,15+/m0/s1