3-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-phenyl-phosphoryl]propanenitrile

Systemtic Name: 3-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-phenyl-phosphoryl]propanenitrile Openeye Name: 3-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-phenyl-phosphoryl]propanenitrile CAS Name: 3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propanenitrile IUPAC Name: 3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propanenitrile Traditional Name: 3-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-phenyl-phosphoryl]propionitrile Formula: C19H28NO2P MolecularWeight: 333.404881

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP(=O)(CCC#N)C2=CC=CC=C2)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)O[P@@](=O)(CCC#N)C2=CC=CC=C2)C(C)C

InChI

InChI=1S/C19H28NO2P/c1-15(2)18-11-10-16(3)14-19(18)22-23(21,13-7-12-20)17-8-5-4-6-9-17/h4-6,8-9,15-16,18-19H,7,10-11,13-14H2,1-3H3/t16-,18+,19-,23+/m1/s1