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

Systemtic Name: 2-[5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid CAS Name: 2-[5-[(4-methylphenyl)-oxomethyl]-1H-pyrrol-2-yl]acetic acid IUPAC Name: 2-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid Traditional Name: 2-(5-p-toluoyl-1H-pyrrol-2-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=CC=C(N2)CC(=O)O

Isomeric SMILES

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

InChI

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