2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid; (4-methylphenyl)methanamine

Systemtic Name: 2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid; (4-methylphenyl)methanamine Openeye Name: 2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid; p-tolylmethanamine CAS Name: 2-(2,4-dichlorophenyl)-4-quinolinecarboxylic acid; (4-methylphenyl)methanamine IUPAC Name: 2-(2,4-dichlorophenyl)quinoline-4-carboxylic acid; (4-methylphenyl)methanamine Traditional Name: 2-(2,4-dichlorophenyl)cinchoninic acid; (4-methylbenzyl)amine Formula: C24H20Cl2N2O2 MolecularWeight: 439.3338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN.C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN.C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C16H9Cl2NO2.C8H11N/c17-9-5-6-11(13(18)7-9)15-8-12(16(20)21)10-3-1-2-4-14(10)19-15;1-7-2-4-8(6-9)5-3-7/h1-8H,(H,20,21);2-5H,6,9H2,1H3