3-[(2,5-dimethylpyrrol-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(2,5-dimethylpyrrol-1-yl)methyl]benzoic acid Openeye Name: 3-[(2,5-dimethylpyrrol-1-yl)methyl]benzoic acid CAS Name: 3-[(2,5-dimethyl-1-pyrrolyl)methyl]benzoic acid IUPAC Name: 3-[(2,5-dimethylpyrrol-1-yl)methyl]benzoic acid Traditional Name: 3-[(2,5-dimethylpyrrol-1-yl)methyl]benzoic acid Formula: C14H15NO2 MolecularWeight: 229.2744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=CC=C(N1CC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C14H15NO2/c1-10-6-7-11(2)15(10)9-12-4-3-5-13(8-12)14(16)17/h3-8H,9H2,1-2H3,(H,16,17)