2-[4-methyl-5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid CAS Name: 2-[4-methyl-5-[(4-methylphenyl)-oxomethyl]-1H-pyrrol-2-yl]acetic acid IUPAC Name: 2-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid Traditional Name: 2-(4-methyl-5-p-toluoyl-1H-pyrrol-2-yl)acetic acid Formula: C15H15NO3 MolecularWeight: 257.2845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C=C(N2)CC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C=C(N2)CC(=O)O)C

InChI

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