ethyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

InChI

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