ethyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-[(3-chloro-4-methoxy-phenyl)methylamino]-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C21H18ClF3N2O3 MolecularWeight: 438.82743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClF3N2O3/c1-3-30-20(28)15-11-26-17-9-13(21(23,24)25)5-6-14(17)19(15)27-10-12-4-7-18(29-2)16(22)8-12/h4-9,11H,3,10H2,1-2H3,(H,26,27)