2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate

Systemtic Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate Openeye Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoate CAS Name: 2-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid 2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate Traditional Name: 2-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoic acid 2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl ester Formula: C30H26F6N4O2 MolecularWeight: 588.543459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C30H26F6N4O2/c31-29(32,33)20-4-3-5-22(18-20)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-21(30(34,35)36)8-9-23(26)27/h1-11,18-19H,12-17H2,(H,37,38)