1-(2-cyanophenyl)-5-ethoxycarbonyl-6-(hydroxymethyl)-2-methyl-4H-pyridine-3-carboxylic acid

Systemtic Name: 1-(2-cyanophenyl)-5-ethoxycarbonyl-6-(hydroxymethyl)-2-methyl-4H-pyridine-3-carboxylic acid Openeye Name: 1-(2-cyanophenyl)-5-ethoxycarbonyl-6-(hydroxymethyl)-2-methyl-4H-pyridine-3-carboxylic acid CAS Name: 1-(2-cyanophenyl)-5-ethoxycarbonyl-6-(hydroxymethyl)-2-methyl-4H-pyridine-3-carboxylic acid IUPAC Name: 1-(2-cyanophenyl)-5-ethoxycarbonyl-6-(hydroxymethyl)-2-methyl-4H-pyridine-3-carboxylic acid Traditional Name: 5-carbethoxy-1-(2-cyanophenyl)-2-methyl-6-methylol-4H-pyridine-3-carboxylic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1)C(=O)O)C)C2=CC=CC=C2C#N)CO

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1)C(=O)O)C)C2=CC=CC=C2C#N)CO

InChI

InChI=1S/C18H18N2O5/c1-3-25-18(24)14-8-13(17(22)23)11(2)20(16(14)10-21)15-7-5-4-6-12(15)9-19/h4-7,21H,3,8,10H2,1-2H3,(H,22,23)