O5-methyl O3-[3-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]propyl] 6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate hydrochloride

Systemtic Name: O5-methyl O3-[3-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]propyl] 6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate hydrochloride Openeye Name: O3-[3-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]propyl] O5-methyl 6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate hydrochloride CAS Name: 6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O3-[3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propyl] ester O5-methyl ester hydrochloride IUPAC Name: 3-O-[3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propyl] 5-O-methyl 6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate hydrochloride Traditional Name: 6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O3-[3-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]propyl] ester O5-methyl ester hydrochloride Formula: C31H39ClF3N3O8 MolecularWeight: 674.10487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(N1)C(F)(F)F)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCCC3=CC=C(C=C3)OCC(CNC(C)C)O)C(=O)OC.Cl

Isomeric SMILES

CC1=C(CC(C(N1)C(F)(F)F)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCCC3=CC=C(C=C3)OCC(CNC(C)C)O)C(=O)OC.Cl

InChI

InChI=1S/C31H38F3N3O8.ClH/c1-19(2)35-17-24(38)18-45-25-13-7-21(8-14-25)6-5-15-44-29(40)30(22-9-11-23(12-10-22)37(41)42)16-26(27(39)43-4)20(3)36-28(30)31(32,33)34;/h7-14,19,24,28,35-36,38H,5-6,15-18H2,1-4H3;1H