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

Systemtic Name: 4-(4-cyanophenyl)-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrrole-2-carboxylic acid Openeye Name: 4-(4-cyanophenyl)-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrrole-2-carboxylic acid CAS Name: 4-(4-cyanophenyl)-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-2-pyrrolecarboxylic acid IUPAC Name: 4-(4-cyanophenyl)-1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrrole-2-carboxylic acid Traditional Name: 4-(4-cyanophenyl)-1-(4-fluorobenzyl)-3,5-dimethyl-pyrrole-2-carboxylic acid Formula: C21H17FN2O2 MolecularWeight: 348.370283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C2=CC=C(C=C2)C#N)C)CC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CC1=C(N(C(=C1C2=CC=C(C=C2)C#N)C)CC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C21H17FN2O2/c1-13-19(17-7-3-15(11-23)4-8-17)14(2)24(20(13)21(25)26)12-16-5-9-18(22)10-6-16/h3-10H,12H2,1-2H3,(H,25,26)