3-[[2-(4-methylphenyl)carbonylpyrrol-1-yl]methyl]quinoline-8-carboxylic acid

Systemtic Name: 3-[[2-(4-methylphenyl)carbonylpyrrol-1-yl]methyl]quinoline-8-carboxylic acid Openeye Name: 3-[[2-(4-methylbenzoyl)pyrrol-1-yl]methyl]quinoline-8-carboxylic acid CAS Name: 3-[[2-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]methyl]-8-quinolinecarboxylic acid IUPAC Name: 3-[[2-(4-methylbenzoyl)pyrrol-1-yl]methyl]quinoline-8-carboxylic acid Traditional Name: 3-[(2-p-toluoylpyrrol-1-yl)methyl]quinoline-8-carboxylic acid Formula: C23H18N2O3 MolecularWeight: 370.40062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC3=CN=C4C(=C3)C=CC=C4C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC3=CN=C4C(=C3)C=CC=C4C(=O)O

InChI

InChI=1S/C23H18N2O3/c1-15-7-9-17(10-8-15)22(26)20-6-3-11-25(20)14-16-12-18-4-2-5-19(23(27)28)21(18)24-13-16/h2-13H,14H2,1H3,(H,27,28)