ethyl 4-[(4-pyrrolidin-1-ylphenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[(4-pyrrolidin-1-ylphenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-(4-pyrrolidin-1-ylanilino)-8-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[4-(1-pyrrolidinyl)anilino]-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-pyrrolidin-1-ylanilino)-8-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(4-pyrrolidinoanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C23H22F3N3O2 MolecularWeight: 429.43489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NC3=CC=C(C=C3)N4CCCC4)C=CC=C2C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NC3=CC=C(C=C3)N4CCCC4)C=CC=C2C(F)(F)F

InChI

InChI=1S/C23H22F3N3O2/c1-2-31-22(30)18-14-27-21-17(6-5-7-19(21)23(24,25)26)20(18)28-15-8-10-16(11-9-15)29-12-3-4-13-29/h5-11,14H,2-4,12-13H2,1H3,(H,27,28)