tert-butyl 4-[[4-ethanoyl-3,5-bis(trifluoromethyl)phenyl]methyl-methanoyl-amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-ethanoyl-3,5-bis(trifluoromethyl)phenyl]methyl-methanoyl-amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate Openeye Name: tert-butyl 4-[[4-acetyl-3,5-bis(trifluoromethyl)phenyl]methyl-formyl-amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate CAS Name: 4-[[4-acetyl-3,5-bis(trifluoromethyl)phenyl]methyl-formylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-acetyl-3,5-bis(trifluoromethyl)phenyl]methyl-formylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate Traditional Name: 4-[[4-acetyl-3,5-bis(trifluoromethyl)benzyl]-formyl-amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester Formula: C29H29F9N2O4 MolecularWeight: 640.537189

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)C(F)(F)F)N(CC3=CC(=C(C(=C3)C(F)(F)F)C(=O)C)C(F)(F)F)C=O

Isomeric SMILES

CCC1CC(C2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)C(F)(F)F)N(CC3=CC(=C(C(=C3)C(F)(F)F)C(=O)C)C(F)(F)F)C=O

InChI

InChI=1S/C29H29F9N2O4/c1-6-18-12-23(19-11-17(27(30,31)32)7-8-22(19)40(18)25(43)44-26(3,4)5)39(14-41)13-16-9-20(28(33,34)35)24(15(2)42)21(10-16)29(36,37)38/h7-11,14,18,23H,6,12-13H2,1-5H3