4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]benzoic acid

Systemtic Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]benzoic acid Openeye Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]benzoic acid CAS Name: 4-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]benzoic acid IUPAC Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]benzoic acid Traditional Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]benzoic acid Formula: C15H17NO2 MolecularWeight: 243.30098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CCC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CC=C(N1CCC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C15H17NO2/c1-11-3-4-12(2)16(11)10-9-13-5-7-14(8-6-13)15(17)18/h3-8H,9-10H2,1-2H3,(H,17,18)