2-(hydroxymethyl)-3-oxidanyl-2-spiro[1,5-dihydro-2,4-benzodioxepine-3,3'-cyclohexane]-1'-yl-propanenitrile

Systemtic Name: 2-(hydroxymethyl)-3-oxidanyl-2-spiro[1,5-dihydro-2,4-benzodioxepine-3,3'-cyclohexane]-1'-yl-propanenitrile Openeye Name: 3-hydroxy-2-(hydroxymethyl)-2-spiro[1,5-dihydro-2,4-benzodioxepine-3,3'-cyclohexane]-1'-yl-propanenitrile CAS Name: 3-hydroxy-2-(hydroxymethyl)-2-(1'-spiro[1,5-dihydro-2,4-benzodioxepin-3,3'-cyclohexane]yl)propanenitrile IUPAC Name: 3-hydroxy-2-(hydroxymethyl)-2-spiro[1,5-dihydro-2,4-benzodioxepine-3,3'-cyclohexane]-1'-ylpropanenitrile Traditional Name: 3-hydroxy-2-methylol-2-spiro[1,5-dihydro-2,4-benzodioxepin-3,3'-cyclohexane]-1'-yl-propionitrile Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2(C1)OCC3=CC=CC=C3CO2)C(CO)(CO)C#N

Isomeric SMILES

C1CC(CC2(C1)OCC3=CC=CC=C3CO2)C(CO)(CO)C#N

InChI

InChI=1S/C18H23NO4/c19-11-17(12-20,13-21)16-6-3-7-18(8-16)22-9-14-4-1-2-5-15(14)10-23-18/h1-2,4-5,16,20-21H,3,6-10,12-13H2