4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-8-ethyl-quinoline-3-carboxylic acid

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-8-ethyl-quinoline-3-carboxylic acid Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-8-ethyl-quinoline-3-carboxylic acid CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-8-ethyl-3-quinolinecarboxylic acid IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-8-ethylquinoline-3-carboxylic acid Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-8-ethyl-quinoline-3-carboxylic acid Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3/c1-3-14-6-13(9-23)7-15-19(14)25-11-16(21(26)27)20(15)24-10-12-4-5-18(28-2)17(22)8-12/h4-8,11H,3,10H2,1-2H3,(H,24,25)(H,26,27)