2-[3-butanoyl-4-[(2-methylphenyl)amino]quinolin-8-yl]ethanoic acid

Systemtic Name: 2-[3-butanoyl-4-[(2-methylphenyl)amino]quinolin-8-yl]ethanoic acid Openeye Name: 2-[3-butanoyl-4-(2-methylanilino)-8-quinolyl]acetic acid CAS Name: 2-[4-(2-methylanilino)-3-(1-oxobutyl)-8-quinolinyl]acetic acid IUPAC Name: 2-[3-butanoyl-4-(2-methylanilino)quinolin-8-yl]acetic acid Traditional Name: 2-[3-butyryl-4-(o-toluidino)-8-quinolyl]acetic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2CC(=O)O

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2CC(=O)O

InChI

InChI=1S/C22H22N2O3/c1-3-7-19(25)17-13-23-21-15(12-20(26)27)9-6-10-16(21)22(17)24-18-11-5-4-8-14(18)2/h4-6,8-11,13H,3,7,12H2,1-2H3,(H,23,24)(H,26,27)