ethyl 4-(4-cyanophenyl)-2-[(4-fluorophenyl)methyl]-1,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(4-cyanophenyl)-2-[(4-fluorophenyl)methyl]-1,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-cyanophenyl)-2-[(4-fluorophenyl)methyl]-1,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-(4-cyanophenyl)-2-[(4-fluorophenyl)methyl]-1,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-2-[(4-fluorophenyl)methyl]-1,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-(4-cyanophenyl)-2-(4-fluorobenzyl)-1,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H21FN2O2 MolecularWeight: 376.423443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)C#N)C)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)C#N)C)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H21FN2O2/c1-4-28-23(27)22-20(13-16-7-11-19(24)12-8-16)26(3)15(2)21(22)18-9-5-17(14-25)6-10-18/h5-12H,4,13H2,1-3H3