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

Systemtic Name: 4-(4-cyanophenyl)-1-[(4-hydroxyphenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 4-(4-cyanophenyl)-1-[(4-hydroxyphenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 4-(4-cyanophenyl)-1-[(4-hydroxyphenyl)methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 4-(4-cyanophenyl)-1-[(4-hydroxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 4-(4-cyanophenyl)-1-(4-hydroxybenzyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C21H18N2O3 MolecularWeight: 346.37922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3/c1-13-19(17-7-3-15(11-22)4-8-17)20(21(25)26)14(2)23(13)12-16-5-9-18(24)10-6-16/h3-10,24H,12H2,1-2H3,(H,25,26)