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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C#N)C(=O)O)C)CO

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C#N)C(=O)O)C)CO

InChI

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