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

Systemtic Name: 2-(azepan-2-yl)ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate Openeye Name: 2-(azepan-2-yl)ethyl 2-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoate CAS Name: 2-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid 2-(2-azepanyl)ethyl ester IUPAC Name: 2-(azepan-2-yl)ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate Traditional Name: 2-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoic acid 2-(azepan-2-yl)ethyl ester Formula: C25H26F3N3O2 MolecularWeight: 457.48805

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

Isomeric SMILES

C1CCC(NCC1)CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

InChI

InChI=1S/C25H26F3N3O2/c26-25(27,28)17-9-10-19-22(11-14-30-23(19)16-17)31-21-8-4-3-7-20(21)24(32)33-15-12-18-6-2-1-5-13-29-18/h3-4,7-11,14,16,18,29H,1-2,5-6,12-13,15H2,(H,30,31)