ethyl 4-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-8-methoxy-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-8-methoxy-quinoline-3-carboxylate Openeye Name: ethyl 4-(5-chloro-2,4-dimethoxy-anilino)-8-methoxy-quinoline-3-carboxylate CAS Name: 4-(5-chloro-2,4-dimethoxyanilino)-8-methoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-chloro-2,4-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate Traditional Name: 4-(5-chloro-2,4-dimethoxy-anilino)-8-methoxy-quinoline-3-carboxylic acid ethyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NC3=CC(=C(C=C3OC)OC)Cl)C=CC=C2OC

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NC3=CC(=C(C=C3OC)OC)Cl)C=CC=C2OC

InChI

InChI=1S/C21H21ClN2O5/c1-5-29-21(25)13-11-23-20-12(7-6-8-16(20)26-2)19(13)24-15-9-14(22)17(27-3)10-18(15)28-4/h6-11H,5H2,1-4H3,(H,23,24)