2-[3-[[4-chloranyl-3-(trifluoromethyl)phenyl]methylamino]propylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[3-[[4-chloranyl-3-(trifluoromethyl)phenyl]methylamino]propylamino]quinoline-4-carboxylic acid Openeye Name: 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]propylamino]quinoline-4-carboxylic acid CAS Name: 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]propylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]propylamino]quinoline-4-carboxylic acid Traditional Name: 2-[3-[[4-chloro-3-(trifluoromethyl)benzyl]amino]propylamino]cinchoninic acid Formula: C21H19ClF3N3O2 MolecularWeight: 437.84267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)NCCCNCC3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)NCCCNCC3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)O

InChI

InChI=1S/C21H19ClF3N3O2/c22-17-7-6-13(10-16(17)21(23,24)25)12-26-8-3-9-27-19-11-15(20(29)30)14-4-1-2-5-18(14)28-19/h1-2,4-7,10-11,26H,3,8-9,12H2,(H,27,28)(H,29,30)