2-[2-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[2-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid CAS Name: 2-[2-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]acetic acid IUPAC Name: 2-[2-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid Traditional Name: 2-(2-methyl-5-p-toluoyl-pyrrol-2-yl)acetic acid Formula: C15H15NO3 MolecularWeight: 257.2845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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