2-[1,4-dimethyl-5-(phenylcarbonyl)pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[1,4-dimethyl-5-(phenylcarbonyl)pyrrol-2-yl]ethanoic acid Openeye Name: 2-(5-benzoyl-1,4-dimethyl-pyrrol-2-yl)acetic acid CAS Name: 2-(5-benzoyl-1,4-dimethyl-2-pyrrolyl)acetic acid IUPAC Name: 2-(5-benzoyl-1,4-dimethylpyrrol-2-yl)acetic acid Traditional Name: 2-(5-benzoyl-1,4-dimethyl-pyrrol-2-yl)acetic acid Formula: C15H15NO3 MolecularWeight: 257.2845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1)CC(=O)O)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(N(C(=C1)CC(=O)O)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H15NO3/c1-10-8-12(9-13(17)18)16(2)14(10)15(19)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,17,18)