2-[1-pentyl-5-(phenylcarbonyl)pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[1-pentyl-5-(phenylcarbonyl)pyrrol-2-yl]ethanoic acid Openeye Name: 2-(5-benzoyl-1-pentyl-pyrrol-2-yl)acetic acid CAS Name: 2-(5-benzoyl-1-pentyl-2-pyrrolyl)acetic acid IUPAC Name: 2-(5-benzoyl-1-pentylpyrrol-2-yl)acetic acid Traditional Name: 2-(1-amyl-5-benzoyl-pyrrol-2-yl)acetic acid Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=CC=C1C(=O)C2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CCCCCN1C(=CC=C1C(=O)C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C18H21NO3/c1-2-3-7-12-19-15(13-17(20)21)10-11-16(19)18(22)14-8-5-4-6-9-14/h4-6,8-11H,2-3,7,12-13H2,1H3,(H,20,21)