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

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-2-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-6-isopropyl-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]-carbomethoxy-amino]-6-isopropyl-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C25H26F6N2O4 MolecularWeight: 532.475359

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC2=C(N1C(=O)O)C=CC(=C2)C(C)C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1C(CC2=C(N1C(=O)O)C=CC(=C2)C(C)C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C25H26F6N2O4/c1-13(2)16-5-6-20-17(9-16)10-21(14(3)33(20)22(34)35)32(23(36)37-4)12-15-7-18(24(26,27)28)11-19(8-15)25(29,30)31/h5-9,11,13-14,21H,10,12H2,1-4H3,(H,34,35)