2-[[1-methyl-4-(1-oxidanylpropan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 2-[[1-methyl-4-(1-oxidanylpropan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzenecarbonitrile Openeye Name: 2-[[4-(2-hydroxy-1-methyl-ethyl)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzonitrile CAS Name: 2-[[4-(1-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzonitrile IUPAC Name: 2-[[4-(1-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzonitrile Traditional Name: 2-[[4-(2-hydroxy-1-methyl-ethyl)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzonitrile Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C12CCC(O1)(C(C2)OCC3=CC=CC=C3C#N)C

Isomeric SMILES

CC(CO)C12CCC(O1)(C(C2)OCC3=CC=CC=C3C#N)C

InChI

InChI=1S/C18H23NO3/c1-13(11-20)18-8-7-17(2,22-18)16(9-18)21-12-15-6-4-3-5-14(15)10-19/h3-6,13,16,20H,7-9,11-12H2,1-2H3