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

Systemtic Name: 4-(2-cyanophenyl)-6-(hydroxymethyl)-1-methoxycarbonyl-2-methyl-4H-pyridine-3-carboxylic acid Openeye Name: 4-(2-cyanophenyl)-6-(hydroxymethyl)-1-methoxycarbonyl-2-methyl-4H-pyridine-3-carboxylic acid CAS Name: 4-(2-cyanophenyl)-6-(hydroxymethyl)-1-methoxycarbonyl-2-methyl-4H-pyridine-3-carboxylic acid IUPAC Name: 4-(2-cyanophenyl)-6-(hydroxymethyl)-1-methoxycarbonyl-2-methyl-4H-pyridine-3-carboxylic acid Traditional Name: 1-carbomethoxy-4-(2-cyanophenyl)-2-methyl-6-methylol-4H-pyridine-3-carboxylic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C=C(N1C(=O)OC)CO)C2=CC=CC=C2C#N)C(=O)O

Isomeric SMILES

CC1=C(C(C=C(N1C(=O)OC)CO)C2=CC=CC=C2C#N)C(=O)O

InChI

InChI=1S/C17H16N2O5/c1-10-15(16(21)22)14(13-6-4-3-5-11(13)8-18)7-12(9-20)19(10)17(23)24-2/h3-7,14,20H,9H2,1-2H3,(H,21,22)