ethyl 5-cyano-6-(4-fluorophenyl)-2,4-di(propan-2-yl)pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-(4-fluorophenyl)-2,4-di(propan-2-yl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-(4-fluorophenyl)-2,4-diisopropyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-(4-fluorophenyl)-2,4-di(propan-2-yl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-(4-fluorophenyl)-2,4-di(propan-2-yl)pyridine-3-carboxylate Traditional Name: 5-cyano-6-(4-fluorophenyl)-2,4-diisopropyl-nicotinic acid ethyl ester Formula: C21H23FN2O2 MolecularWeight: 354.417923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C(C)C)C#N)C2=CC=C(C=C2)F)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C(C)C)C#N)C2=CC=C(C=C2)F)C(C)C

InChI

InChI=1S/C21H23FN2O2/c1-6-26-21(25)18-17(12(2)3)16(11-23)20(24-19(18)13(4)5)14-7-9-15(22)10-8-14/h7-10,12-13H,6H2,1-5H3