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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1CC2=CC=C(C=C2)F)C)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1CC2=CC=C(C=C2)F)C)C3=CC=C(C=C3)C#N)C

InChI

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