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

Systemtic Name: 4-(2-cyanophenyl)-6-(hydroxymethyl)-5-methoxycarbonyl-2-methyl-1-propyl-4H-pyridine-3-carboxylic acid Openeye Name: 4-(2-cyanophenyl)-6-(hydroxymethyl)-5-methoxycarbonyl-2-methyl-1-propyl-4H-pyridine-3-carboxylic acid CAS Name: 4-(2-cyanophenyl)-6-(hydroxymethyl)-5-methoxycarbonyl-2-methyl-1-propyl-4H-pyridine-3-carboxylic acid IUPAC Name: 4-(2-cyanophenyl)-6-(hydroxymethyl)-5-methoxycarbonyl-2-methyl-1-propyl-4H-pyridine-3-carboxylic acid Traditional Name: 5-carbomethoxy-4-(2-cyanophenyl)-2-methyl-6-methylol-1-propyl-4H-pyridine-3-carboxylic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(C(=C1CO)C(=O)OC)C2=CC=CC=C2C#N)C(=O)O)C

Isomeric SMILES

CCCN1C(=C(C(C(=C1CO)C(=O)OC)C2=CC=CC=C2C#N)C(=O)O)C

InChI

InChI=1S/C20H22N2O5/c1-4-9-22-12(2)16(19(24)25)17(14-8-6-5-7-13(14)10-21)18(15(22)11-23)20(26)27-3/h5-8,17,23H,4,9,11H2,1-3H3,(H,24,25)