ethyl 6-ethoxy-4-[(3-fluoranyl-4-methyl-phenyl)amino]quinoline-3-carboxylate

Systemtic Name: ethyl 6-ethoxy-4-[(3-fluoranyl-4-methyl-phenyl)amino]quinoline-3-carboxylate Openeye Name: ethyl 6-ethoxy-4-(3-fluoro-4-methyl-anilino)quinoline-3-carboxylate CAS Name: 6-ethoxy-4-(3-fluoro-4-methylanilino)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-ethoxy-4-(3-fluoro-4-methylanilino)quinoline-3-carboxylate Traditional Name: 6-ethoxy-4-(3-fluoro-4-methyl-anilino)quinoline-3-carboxylic acid ethyl ester Formula: C21H21FN2O3 MolecularWeight: 368.401443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=CC(=C(C=C3)C)F

InChI

InChI=1S/C21H21FN2O3/c1-4-26-15-8-9-19-16(11-15)20(17(12-23-19)21(25)27-5-2)24-14-7-6-13(3)18(22)10-14/h6-12H,4-5H2,1-3H3,(H,23,24)