O5-methyl O3-piperidin-1-yl 2-methyl-4-(3-nitrophenyl)-1-[2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethyl]-6-(trifluoromethyl)-4H-pyridine-3,5-dicarboxylate dihydrochloride

Systemtic Name: O5-methyl O3-piperidin-1-yl 2-methyl-4-(3-nitrophenyl)-1-[2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethyl]-6-(trifluoromethyl)-4H-pyridine-3,5-dicarboxylate dihydrochloride Openeye Name: O5-methyl O3-(1-piperidyl) 1-[2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]ethyl]-2-methyl-4-(3-nitrophenyl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarboxylate dihydrochloride CAS Name: 1-[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethyl]-2-methyl-4-(3-nitrophenyl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarboxylic acid O5-methyl ester O3-(1-piperidinyl) ester dihydrochloride IUPAC Name: 5-O-methyl 3-O-piperidin-1-yl 1-[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethyl]-2-methyl-4-(3-nitrophenyl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarboxylate dihydrochloride Traditional Name: 1-[2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]ethyl]-2-methyl-4-(3-nitrophenyl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarboxylic acid O5-methyl ester O3-piperidino ester dihydrochloride Formula: C35H45Cl2F3N4O8 MolecularWeight: 777.65501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1CCC2=CC=C(C=C2)OCC(CNC(C)C)O)C(F)(F)F)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)ON4CCCCC4.Cl.Cl

Isomeric SMILES

CC1=C(C(C(=C(N1CCC2=CC=C(C=C2)OCC(CNC(C)C)O)C(F)(F)F)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)ON4CCCCC4.Cl.Cl

InChI

InChI=1S/C35H43F3N4O8.2ClH/c1-22(2)39-20-27(43)21-49-28-13-11-24(12-14-28)15-18-41-23(3)29(34(45)50-40-16-6-5-7-17-40)30(25-9-8-10-26(19-25)42(46)47)31(33(44)48-4)32(41)35(36,37)38;;/h8-14,19,22,27,30,39,43H,5-7,15-18,20-21H2,1-4H3;2*1H