4-(2,4-dimethyl-1H-pyrrol-3-yl)benzoic acid

Systemtic Name: 4-(2,4-dimethyl-1H-pyrrol-3-yl)benzoic acid Openeye Name: 4-(2,4-dimethyl-1H-pyrrol-3-yl)benzoic acid CAS Name: 4-(2,4-dimethyl-1H-pyrrol-3-yl)benzoic acid IUPAC Name: 4-(2,4-dimethyl-1H-pyrrol-3-yl)benzoic acid Traditional Name: 4-(2,4-dimethyl-1H-pyrrol-3-yl)benzoic acid Formula: C13H13NO2 MolecularWeight: 215.24782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=C1C2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CNC(=C1C2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C13H13NO2/c1-8-7-14-9(2)12(8)10-3-5-11(6-4-10)13(15)16/h3-7,14H,1-2H3,(H,15,16)