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

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-6-methoxy-2-methyl-7-octoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-6-methoxy-2-methyl-7-octoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-methoxy-2-methyl-7-octoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-methoxy-2-methyl-7-octoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 4-[[3,5-bis(trifluoromethyl)benzyl]-carbomethoxy-amino]-6-methoxy-2-methyl-7-octoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C31H38F6N2O6 MolecularWeight: 648.633639

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C2C(CC(N(C2=C1)C(=O)O)C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C2C(CC(N(C2=C1)C(=O)O)C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC)OC

InChI

InChI=1S/C31H38F6N2O6/c1-5-6-7-8-9-10-11-45-27-17-25-23(16-26(27)43-3)24(12-19(2)39(25)28(40)41)38(29(42)44-4)18-20-13-21(30(32,33)34)15-22(14-20)31(35,36)37/h13-17,19,24H,5-12,18H2,1-4H3,(H,40,41)