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

Systemtic Name: 4-(2-cyanophenyl)-5-ethoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(2-cyanophenyl)-5-ethoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(2-cyanophenyl)-5-ethoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(2-cyanophenyl)-5-ethoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-carbethoxy-4-(2-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4/c1-4-24-18(23)15-11(3)20-10(2)14(17(21)22)16(15)13-8-6-5-7-12(13)9-19/h5-8,16,20H,4H2,1-3H3,(H,21,22)