4-[2-(3H-pyrrol-5-yl)propan-2-yl]benzoic acid

Systemtic Name: 4-[2-(3H-pyrrol-5-yl)propan-2-yl]benzoic acid Openeye Name: 4-[1-methyl-1-(3H-pyrrol-5-yl)ethyl]benzoic acid CAS Name: 4-[2-(3H-pyrrol-5-yl)propan-2-yl]benzoic acid IUPAC Name: 4-[2-(3H-pyrrol-5-yl)propan-2-yl]benzoic acid Traditional Name: 4-[1-methyl-1-(3H-pyrrol-5-yl)ethyl]benzoic acid Formula: C14H15NO2 MolecularWeight: 229.2744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CCC=N1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C1=CCC=N1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H15NO2/c1-14(2,12-4-3-9-15-12)11-7-5-10(6-8-11)13(16)17/h4-9H,3H2,1-2H3,(H,16,17)