6-[2-[2-(4-methylphenyl)carbonylpyrrol-1-yl]ethoxy]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-[2-(4-methylphenyl)carbonylpyrrol-1-yl]ethoxy]pyridine-3-carboxylic acid Openeye Name: 6-[2-[2-(4-methylbenzoyl)pyrrol-1-yl]ethoxy]pyridine-3-carboxylic acid CAS Name: 6-[2-[2-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]ethoxy]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-[2-(4-methylbenzoyl)pyrrol-1-yl]ethoxy]pyridine-3-carboxylic acid Traditional Name: 6-[2-(2-p-toluoylpyrrol-1-yl)ethoxy]nicotinic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CCOC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CCOC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18N2O4/c1-14-4-6-15(7-5-14)19(23)17-3-2-10-22(17)11-12-26-18-9-8-16(13-21-18)20(24)25/h2-10,13H,11-12H2,1H3,(H,24,25)