2-[3-(2,4-dimethylphenyl)carbonyl-1-methyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[3-(2,4-dimethylphenyl)carbonyl-1-methyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[3-(2,4-dimethylbenzoyl)-1-methyl-pyrrol-2-yl]acetic acid CAS Name: 2-[3-[(2,4-dimethylphenyl)-oxomethyl]-1-methyl-2-pyrrolyl]acetic acid IUPAC Name: 2-[3-(2,4-dimethylbenzoyl)-1-methylpyrrol-2-yl]acetic acid Traditional Name: 2-[3-(2,4-dimethylbenzoyl)-1-methyl-pyrrol-2-yl]acetic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3/c1-10-4-5-12(11(2)8-10)16(20)13-6-7-17(3)14(13)9-15(18)19/h4-8H,9H2,1-3H3,(H,18,19)