6-[5-(4,7-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[5-(4,7-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]pyridine-3-carboxylic acid Openeye Name: 6-[5-(4,7-dimethylbenzofuran-2-yl)-1H-pyrrol-2-yl]pyridine-3-carboxylic acid CAS Name: 6-[5-(4,7-dimethyl-2-benzofuranyl)-1H-pyrrol-2-yl]-3-pyridinecarboxylic acid IUPAC Name: 6-[5-(4,7-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]pyridine-3-carboxylic acid Traditional Name: 6-[5-(4,7-dimethylbenzofuran-2-yl)-1H-pyrrol-2-yl]nicotinic acid Formula: C20H16N2O3 MolecularWeight: 332.35264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(OC2=C(C=C1)C)C3=CC=C(N3)C4=NC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C2C=C(OC2=C(C=C1)C)C3=CC=C(N3)C4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H16N2O3/c1-11-3-4-12(2)19-14(11)9-18(25-19)17-8-7-16(22-17)15-6-5-13(10-21-15)20(23)24/h3-10,22H,1-2H3,(H,23,24)