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

Systemtic Name: 4-(2-cyanophenyl)-5-ethanoyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-acetyl-4-(2-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-acetyl-4-(2-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-acetyl-4-(2-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-acetyl-4-(2-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3/c1-9-14(11(3)20)16(15(17(21)22)10(2)19-9)13-7-5-4-6-12(13)8-18/h4-7,16,19H,1-3H3,(H,21,22)