methyl 4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: methyl 4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate Openeye Name: methyl 4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(3-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(3-pyridinylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate Traditional Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(3-pyridylmethyl)pyrrole-3-carboxylic acid methyl ester Formula: C22H18F3N3O2 MolecularWeight: 413.39243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CN=CC=C2)C)C(=O)OC)C3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CC1=C(C(=C(N1CC2=CN=CC=C2)C)C(=O)OC)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C22H18F3N3O2/c1-13-19(16-6-7-17(10-26)18(9-16)22(23,24)25)20(21(29)30-3)14(2)28(13)12-15-5-4-8-27-11-15/h4-9,11H,12H2,1-3H3