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

Systemtic Name: O5-methyl O3-piperidin-1-yl 6-methyl-3-(4-nitrophenyl)-1-[1-[2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethyl]-2-(trifluoromethyl)-2,4-dihydropyridine-3,5-dicarboxylate dihydrochloride Openeye Name: O5-methyl O3-(1-piperidyl) 1-[1-[2-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]ethyl]-6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydropyridine-3,5-dicarboxylate dihydrochloride CAS Name: 1-[1-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethyl]-6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydropyridine-3,5-dicarboxylic acid O5-methyl ester O3-(1-piperidinyl) ester dihydrochloride IUPAC Name: 5-O-methyl 3-O-piperidin-1-yl 1-[1-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethyl]-6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydropyridine-3,5-dicarboxylate dihydrochloride Traditional Name: 1-[1-[2-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]ethyl]-6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydropyridine-3,5-dicarboxylic acid O5-methyl ester O3-piperidino ester dihydrochloride Formula: C35H47Cl2F3N4O8 MolecularWeight: 779.67089

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(N1C(C)C2=CC=CC=C2OCC(CNC(C)C)O)C(F)(F)F)(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)ON4CCCCC4)C(=O)OC.Cl.Cl

Isomeric SMILES

CC1=C(CC(C(N1C(C)C2=CC=CC=C2OCC(CNC(C)C)O)C(F)(F)F)(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)ON4CCCCC4)C(=O)OC.Cl.Cl

InChI

InChI=1S/C35H45F3N4O8.2ClH/c1-22(2)39-20-27(43)21-49-30-12-8-7-11-28(30)23(3)41-24(4)29(31(44)48-5)19-34(32(41)35(36,37)38,25-13-15-26(16-14-25)42(46)47)33(45)50-40-17-9-6-10-18-40;;/h7-8,11-16,22-23,27,32,39,43H,6,9-10,17-21H2,1-5H3;2*1H