4-(3-ethanoyl-2,5-dimethyl-pyrrol-1-yl)benzoic acid

Systemtic Name: 4-(3-ethanoyl-2,5-dimethyl-pyrrol-1-yl)benzoic acid Openeye Name: 4-(3-acetyl-2,5-dimethyl-pyrrol-1-yl)benzoic acid CAS Name: 4-(3-acetyl-2,5-dimethyl-1-pyrrolyl)benzoic acid IUPAC Name: 4-(3-acetyl-2,5-dimethylpyrrol-1-yl)benzoic acid Traditional Name: 4-(3-acetyl-2,5-dimethyl-pyrrol-1-yl)benzoic acid Formula: C15H15NO3 MolecularWeight: 257.2845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C(=O)C

InChI

InChI=1S/C15H15NO3/c1-9-8-14(11(3)17)10(2)16(9)13-6-4-12(5-7-13)15(18)19/h4-8H,1-3H3,(H,18,19)