3-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]-2-oxidanylidene-pyridin-1-yl]propanenitrile

Systemtic Name: 3-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]-2-oxidanylidene-pyridin-1-yl]propanenitrile Openeye Name: 3-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthyl]-2-oxo-1-pyridyl]propanenitrile CAS Name: 3-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthalenyl]-2-oxo-1-pyridinyl]propanenitrile IUPAC Name: 3-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2-oxopyridin-1-yl]propanenitrile Traditional Name: 3-[4-(6,7-dimethoxy-2,3-dimethylol-1-naphthyl)-2-keto-1-pyridyl]propionitrile Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=O)N(C=C3)CCC#N)CO)CO

Isomeric SMILES

COC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=O)N(C=C3)CCC#N)CO)CO

InChI

InChI=1S/C22H22N2O5/c1-28-19-9-15-8-16(12-25)18(13-26)22(17(15)11-20(19)29-2)14-4-7-24(6-3-5-23)21(27)10-14/h4,7-11,25-26H,3,6,12-13H2,1-2H3