4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-7-methoxy-2-methyl-6-oxidanyl-3,4-dihydro-2H-quinoline-1-carboxylic acid

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-7-methoxy-2-methyl-6-oxidanyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 4-[[3,5-bis(trifluoromethyl)benzyl]amino]-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C21H20F6N2O4 MolecularWeight: 478.384919

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=CC(=C(C=C2N1C(=O)O)OC)O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1CC(C2=CC(=C(C=C2N1C(=O)O)OC)O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H20F6N2O4/c1-10-3-15(14-7-17(30)18(33-2)8-16(14)29(10)19(31)32)28-9-11-4-12(20(22,23)24)6-13(5-11)21(25,26)27/h4-8,10,15,28,30H,3,9H2,1-2H3,(H,31,32)