4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-6-tert-butyl-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-6-tert-butyl-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-6-tert-butyl-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-tert-butyl-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-tert-butyl-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 4-[[3,5-bis(trifluoromethyl)benzyl]-carbomethoxy-amino]-6-tert-butyl-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C26H28F6N2O4 MolecularWeight: 546.501939

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=C(N1C(=O)O)C=CC(=C2)C(C)(C)C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1CC(C2=C(N1C(=O)O)C=CC(=C2)C(C)(C)C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C26H28F6N2O4/c1-14-8-21(19-12-16(24(2,3)4)6-7-20(19)34(14)22(35)36)33(23(37)38-5)13-15-9-17(25(27,28)29)11-18(10-15)26(30,31)32/h6-7,9-12,14,21H,8,13H2,1-5H3,(H,35,36)