4-[3-[imidazol-1-yl-(4-methylphenyl)methyl]pyrrol-1-yl]-1H-pyrrole-3-carboxylic acid

Systemtic Name: 4-[3-[imidazol-1-yl-(4-methylphenyl)methyl]pyrrol-1-yl]-1H-pyrrole-3-carboxylic acid Openeye Name: 4-[3-[imidazol-1-yl(p-tolyl)methyl]pyrrol-1-yl]-1H-pyrrole-3-carboxylic acid CAS Name: 4-[3-[1-imidazolyl-(4-methylphenyl)methyl]-1-pyrrolyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 4-[3-[imidazol-1-yl-(4-methylphenyl)methyl]pyrrol-1-yl]-1H-pyrrole-3-carboxylic acid Traditional Name: 4-[3-[imidazol-1-yl(p-tolyl)methyl]pyrrol-1-yl]-1H-pyrrole-3-carboxylic acid Formula: C20H18N4O2 MolecularWeight: 346.38252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CN(C=C2)C3=CNC=C3C(=O)O)N4C=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CN(C=C2)C3=CNC=C3C(=O)O)N4C=CN=C4

InChI

InChI=1S/C20H18N4O2/c1-14-2-4-15(5-3-14)19(24-9-7-21-13-24)16-6-8-23(12-16)18-11-22-10-17(18)20(25)26/h2-13,19,22H,1H3,(H,25,26)