2-[[2-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-yl]amino]benzoate

Systemtic Name: 2-[[2-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-yl]amino]benzoate Openeye Name: 2-[[2-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)-4-quinolyl]amino]benzoate CAS Name: 2-[[2-[2-(1-pyrrolidinyl)ethyl]-7-(trifluoromethyl)-4-quinolinyl]amino]benzoate IUPAC Name: 2-[[2-(2-pyrrolidin-1-ylethyl)-7-(trifluoromethyl)quinolin-4-yl]amino]benzoate Traditional Name: 2-[[2-(2-pyrrolidinoethyl)-7-(trifluoromethyl)-4-quinolyl]amino]benzoate Formula: C23H21F3N3O2- MolecularWeight: 428.42695

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC2=NC3=C(C=CC(=C3)C(F)(F)F)C(=C2)NC4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

C1CCN(C1)CCC2=NC3=C(C=CC(=C3)C(F)(F)F)C(=C2)NC4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C23H22F3N3O2/c24-23(25,26)15-7-8-17-20(13-15)27-16(9-12-29-10-3-4-11-29)14-21(17)28-19-6-2-1-5-18(19)22(30)31/h1-2,5-8,13-14H,3-4,9-12H2,(H,27,28)(H,30,31)/p-1