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

Systemtic Name: O3-(1-azanylethyl) O5-methyl 4-ethyl-1,6-dimethyl-3-(4-nitrophenyl)-4-[2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]-2-(trifluoromethyl)-2H-pyridine-3,5-dicarboxylate dihydrochloride Openeye Name: O3-(1-aminoethyl) O5-methyl 4-ethyl-4-[2-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-1,6-dimethyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2H-pyridine-3,5-dicarboxylate dihydrochloride CAS Name: 4-ethyl-4-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-1,6-dimethyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2H-pyridine-3,5-dicarboxylic acid O3-(1-aminoethyl) ester O5-methyl ester dihydrochloride IUPAC Name: 3-O-(1-aminoethyl) 5-O-methyl 4-ethyl-4-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-1,6-dimethyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2H-pyridine-3,5-dicarboxylate dihydrochloride Traditional Name: 4-ethyl-4-[2-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-1,6-dimethyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2H-pyridine-3,5-dicarboxylic acid O3-(1-aminoethyl) ester O5-methyl ester dihydrochloride Formula: C33H45Cl2F3N4O8 MolecularWeight: 753.63361

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=C(N(C(C1(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)N)C(F)(F)F)C)C)C(=O)OC)C3=CC=CC=C3OCC(CNC(C)C)O.Cl.Cl

Isomeric SMILES

CCC1(C(=C(N(C(C1(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)N)C(F)(F)F)C)C)C(=O)OC)C3=CC=CC=C3OCC(CNC(C)C)O.Cl.Cl

InChI

InChI=1S/C33H43F3N4O8.2ClH/c1-8-31(25-11-9-10-12-26(25)47-18-24(41)17-38-19(2)3)27(28(42)46-7)20(4)39(6)29(33(34,35)36)32(31,30(43)48-21(5)37)22-13-15-23(16-14-22)40(44)45;;/h9-16,19,21,24,29,38,41H,8,17-18,37H2,1-7H3;2*1H