2-[3-(4-methylphenyl)carbonylpyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-methylphenyl)carbonylpyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-methylbenzoyl)pyrrol-1-yl]acetic acid CAS Name: 2-[3-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-(4-methylbenzoyl)pyrrol-1-yl]acetic acid Traditional Name: 2-(3-p-toluoylpyrrol-1-yl)acetic acid Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO3/c1-10-2-4-11(5-3-10)14(18)12-6-7-15(8-12)9-13(16)17/h2-8H,9H2,1H3,(H,16,17)