3-[(1R,2E,3S)-3-(2-hydroxyethyl)-2-(methoxymethylidene)cyclohexyl]propanenitrile

Systemtic Name: 3-[(1R,2E,3S)-3-(2-hydroxyethyl)-2-(methoxymethylidene)cyclohexyl]propanenitrile Openeye Name: 3-[(1R,2E,3S)-3-(2-hydroxyethyl)-2-(methoxymethylene)cyclohexyl]propanenitrile CAS Name: 3-[(1R,2E,3S)-3-(2-hydroxyethyl)-2-(methoxymethylidene)cyclohexyl]propanenitrile IUPAC Name: 3-[(1R,2E,3S)-3-(2-hydroxyethyl)-2-(methoxymethylidene)cyclohexyl]propanenitrile Traditional Name: 3-[(1R,2E,3S)-3-(2-hydroxyethyl)-2-(methoxymethylene)cyclohexyl]propionitrile Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

COC=C1C(CCCC1CCO)CCC#N

Isomeric SMILES

CO/C=C/1\[C@H](CCC[C@H]1CCO)CCC#N

InChI

InChI=1S/C13H21NO2/c1-16-10-13-11(6-3-8-14)4-2-5-12(13)7-9-15/h10-12,15H,2-7,9H2,1H3/b13-10+/t11-,12+/m1/s1