2-[2-(2,4-dimethylphenyl)carbonyl-3,5-dimethyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[2-(2,4-dimethylphenyl)carbonyl-3,5-dimethyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[2-(2,4-dimethylbenzoyl)-3,5-dimethyl-pyrrol-2-yl]acetic acid CAS Name: 2-[2-[(2,4-dimethylphenyl)-oxomethyl]-3,5-dimethyl-2-pyrrolyl]acetic acid IUPAC Name: 2-[2-(2,4-dimethylbenzoyl)-3,5-dimethylpyrrol-2-yl]acetic acid Traditional Name: 2-[2-(2,4-dimethylbenzoyl)-3,5-dimethyl-pyrrol-2-yl]acetic acid Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO3/c1-10-5-6-14(11(2)7-10)16(21)17(9-15(19)20)12(3)8-13(4)18-17/h5-8H,9H2,1-4H3,(H,19,20)