1-[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-pyran-2-yl]methyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-2-pyranyl]methyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[(3-hydroxy-4-keto-6-methylol-pyran-2-yl)methyl]-4-phenyl-isonipecotonitrile Formula: C19H20N2O4 MolecularWeight: 340.3731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)CC3=C(C(=O)C=C(O3)CO)O

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)CC3=C(C(=O)C=C(O3)CO)O

InChI

InChI=1S/C19H20N2O4/c20-13-19(14-4-2-1-3-5-14)6-8-21(9-7-19)11-17-18(24)16(23)10-15(12-22)25-17/h1-5,10,22,24H,6-9,11-12H2