4-[1-[2,3-bis(chloranyl)phenyl]ethylamino]-6-cyano-8-ethyl-quinoline-3-carboxylic acid

Systemtic Name: 4-[1-[2,3-bis(chloranyl)phenyl]ethylamino]-6-cyano-8-ethyl-quinoline-3-carboxylic acid Openeye Name: 6-cyano-4-[1-(2,3-dichlorophenyl)ethylamino]-8-ethyl-quinoline-3-carboxylic acid CAS Name: 6-cyano-4-[1-(2,3-dichlorophenyl)ethylamino]-8-ethyl-3-quinolinecarboxylic acid IUPAC Name: 6-cyano-4-[1-(2,3-dichlorophenyl)ethylamino]-8-ethylquinoline-3-carboxylic acid Traditional Name: 6-cyano-4-[1-(2,3-dichlorophenyl)ethylamino]-8-ethyl-quinoline-3-carboxylic acid Formula: C21H17Cl2N3O2 MolecularWeight: 414.28458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17Cl2N3O2/c1-3-13-7-12(9-24)8-15-19(13)25-10-16(21(27)28)20(15)26-11(2)14-5-4-6-17(22)18(14)23/h4-8,10-11H,3H2,1-2H3,(H,25,26)(H,27,28)