ethyl 4-[(4-propan-2-ylphenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[(4-propan-2-ylphenyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(4-isopropylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(4-propan-2-ylanilino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-propan-2-ylanilino)-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-cumidino-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C22H21F3N2O2 MolecularWeight: 402.40955

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=C3)C(C)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=C3)C(C)C)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O2/c1-4-29-21(28)18-12-26-19-11-15(22(23,24)25)7-10-17(19)20(18)27-16-8-5-14(6-9-16)13(2)3/h5-13H,4H2,1-3H3,(H,26,27)