2-(2-piperidin-2-ylethoxy)ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate

Systemtic Name: 2-(2-piperidin-2-ylethoxy)ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate Openeye Name: 2-[2-(2-piperidyl)ethoxy]ethyl 2-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoate CAS Name: 2-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid 2-[2-(2-piperidinyl)ethoxy]ethyl ester IUPAC Name: 2-(2-piperidin-2-ylethoxy)ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate Traditional Name: 2-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoic acid 2-[2-(2-piperidyl)ethoxy]ethyl ester Formula: C26H28F3N3O3 MolecularWeight: 487.51403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)CCOCCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

Isomeric SMILES

C1CCNC(C1)CCOCCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

InChI

InChI=1S/C26H28F3N3O3/c27-26(28,29)18-8-9-20-23(10-13-31-24(20)17-18)32-22-7-2-1-6-21(22)25(33)35-16-15-34-14-11-19-5-3-4-12-30-19/h1-2,6-10,13,17,19,30H,3-5,11-12,14-16H2,(H,31,32)