2-(4-phenylpiperazin-1-yl)ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate

Systemtic Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate Openeye Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoate CAS Name: 2-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid 2-(4-phenyl-1-piperazinyl)ethyl ester IUPAC Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate Traditional Name: 2-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoic acid 2-(4-phenylpiperazino)ethyl ester Formula: C29H27F3N4O2 MolecularWeight: 520.54549

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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

Isomeric SMILES

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

InChI

InChI=1S/C29H27F3N4O2/c30-29(31,32)21-10-11-23-26(12-13-33-27(23)20-21)34-25-9-5-4-8-24(25)28(37)38-19-18-35-14-16-36(17-15-35)22-6-2-1-3-7-22/h1-13,20H,14-19H2,(H,33,34)