6-cyano-8-ethyl-4-[(4-methylphenyl)methylamino]quinoline-3-carboxylic acid

Systemtic Name: 6-cyano-8-ethyl-4-[(4-methylphenyl)methylamino]quinoline-3-carboxylic acid Openeye Name: 6-cyano-8-ethyl-4-(p-tolylmethylamino)quinoline-3-carboxylic acid CAS Name: 6-cyano-8-ethyl-4-[(4-methylphenyl)methylamino]-3-quinolinecarboxylic acid IUPAC Name: 6-cyano-8-ethyl-4-[(4-methylphenyl)methylamino]quinoline-3-carboxylic acid Traditional Name: 6-cyano-8-ethyl-4-[(4-methylbenzyl)amino]quinoline-3-carboxylic acid Formula: C21H19N3O2 MolecularWeight: 345.39446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C(C(=CN=C12)C(=O)O)NCC3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCC1=CC(=CC2=C(C(=CN=C12)C(=O)O)NCC3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C21H19N3O2/c1-3-16-8-15(10-22)9-17-19(16)24-12-18(21(25)26)20(17)23-11-14-6-4-13(2)5-7-14/h4-9,12H,3,11H2,1-2H3,(H,23,24)(H,25,26)