Molecule ID: 5508

IUPAC Name: 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of tolmetin, obtained by deprotonation of the carboxy group. It is a conjugate base of a tolmetin.

SMILES: Cc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1

SELFIES: [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][C]

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

Molecular Properties:
- Polar Surface Area: 62.1 Ų
- LogP: 3.4