ethyl 6-ethoxy-4-[(4-fluorophenyl)methylamino]quinoline-3-carboxylate

Systemtic Name: ethyl 6-ethoxy-4-[(4-fluorophenyl)methylamino]quinoline-3-carboxylate Openeye Name: ethyl 6-ethoxy-4-[(4-fluorophenyl)methylamino]quinoline-3-carboxylate CAS Name: 6-ethoxy-4-[(4-fluorophenyl)methylamino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-ethoxy-4-[(4-fluorophenyl)methylamino]quinoline-3-carboxylate Traditional Name: 6-ethoxy-4-[(4-fluorobenzyl)amino]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)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O3/c1-3-26-16-9-10-19-17(11-16)20(18(13-23-19)21(25)27-4-2)24-12-14-5-7-15(22)8-6-14/h5-11,13H,3-4,12H2,1-2H3,(H,23,24)