2-[4-[(2-propylpyrrol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-propylpyrrol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-propylpyrrol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-propyl-1-pyrrolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-propylpyrrol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-propylpyrrol-1-yl)methyl]phenyl]benzoic acid Formula: C21H21NO2 MolecularWeight: 319.39694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCC1=CC=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H21NO2/c1-2-6-18-7-5-14-22(18)15-16-10-12-17(13-11-16)19-8-3-4-9-20(19)21(23)24/h3-5,7-14H,2,6,15H2,1H3,(H,23,24)