[2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate

Systemtic Name: [2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: [2-[2-morpholino-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid [2-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid [2-keto-2-[2-morpholino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C33H26F3N3O4 MolecularWeight: 585.57245

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C33H26F3N3O4/c34-33(35,36)22-12-13-30(39-14-16-42-17-15-39)29(18-22)38-31(40)20-43-32(41)26-19-28(37-27-11-4-3-9-25(26)27)24-10-5-7-21-6-1-2-8-23(21)24/h1-13,18-19H,14-17,20H2,(H,38,40)