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

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-7-decoxy-6-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-7-decoxy-6-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-7-decoxy-6-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-7-decoxy-6-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]-carbomethoxy-amino]-7-decoxy-6-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C33H42F6N2O6 MolecularWeight: 676.686799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C2CC(C(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

CCCCCCCCCCOC1=C(C=C2CC(C(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/C33H42F6N2O6/c1-5-6-7-8-9-10-11-12-13-47-29-19-27-23(17-28(29)45-3)16-26(21(2)41(27)30(42)43)40(31(44)46-4)20-22-14-24(32(34,35)36)18-25(15-22)33(37,38)39/h14-15,17-19,21,26H,5-13,16,20H2,1-4H3,(H,42,43)