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

Systemtic Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[(7-chloranylquinolin-4-yl)amino]benzoate Openeye Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[(7-chloro-4-quinolyl)amino]benzoate CAS Name: 2-[(7-chloro-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-chloroquinolin-4-yl)amino]benzoate Traditional Name: 2-[(7-chloro-4-quinolyl)amino]benzoic acid 2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl ester Formula: C29H26ClF3N4O2 MolecularWeight: 554.99055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26ClF3N4O2/c30-21-8-9-23-26(10-11-34-27(23)19-21)35-25-7-2-1-6-24(25)28(38)39-17-16-36-12-14-37(15-13-36)22-5-3-4-20(18-22)29(31,32)33/h1-11,18-19H,12-17H2,(H,34,35)