methyl 6-[2-[2-(4-methylphenyl)carbonylpyrrol-1-yl]ethoxy]pyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[2-(4-methylphenyl)carbonylpyrrol-1-yl]ethoxy]pyridine-3-carboxylate Openeye Name: methyl 6-[2-[2-(4-methylbenzoyl)pyrrol-1-yl]ethoxy]pyridine-3-carboxylate CAS Name: 6-[2-[2-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]ethoxy]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[2-(4-methylbenzoyl)pyrrol-1-yl]ethoxy]pyridine-3-carboxylate Traditional Name: 6-[2-(2-p-toluoylpyrrol-1-yl)ethoxy]nicotinic acid methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-15-5-7-16(8-6-15)20(24)18-4-3-11-23(18)12-13-27-19-10-9-17(14-22-19)21(25)26-2/h3-11,14H,12-13H2,1-2H3