4-(2-cyanophenyl)-6-(hydroxymethyl)-5-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(2-cyanophenyl)-6-(hydroxymethyl)-5-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(2-cyanophenyl)-6-(hydroxymethyl)-5-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(2-cyanophenyl)-6-(hydroxymethyl)-5-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(2-cyanophenyl)-6-(hydroxymethyl)-5-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-carbomethoxy-4-(2-cyanophenyl)-2-methyl-6-methylol-1,4-dihydropyridine-3-carboxylic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CO)C(=O)OC)C2=CC=CC=C2C#N)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)CO)C(=O)OC)C2=CC=CC=C2C#N)C(=O)O

InChI

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