4-[3-(2,5-dimethylpyrrol-1-yl)pyridin-2-yl]benzoic acid

Systemtic Name: 4-[3-(2,5-dimethylpyrrol-1-yl)pyridin-2-yl]benzoic acid Openeye Name: 4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridyl]benzoic acid CAS Name: 4-[3-(2,5-dimethyl-1-pyrrolyl)-2-pyridinyl]benzoic acid IUPAC Name: 4-[3-(2,5-dimethylpyrrol-1-yl)pyridin-2-yl]benzoic acid Traditional Name: 4-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridyl]benzoic acid Formula: C18H16N2O2 MolecularWeight: 292.33184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(N=CC=C2)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=C(N=CC=C2)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C18H16N2O2/c1-12-5-6-13(2)20(12)16-4-3-11-19-17(16)14-7-9-15(10-8-14)18(21)22/h3-11H,1-2H3,(H,21,22)