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

Systemtic Name: O3-[3-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]propyl] O5-methyl 6-methyl-3-(4-nitrophenyl)-2-(trifluoromethyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate hydrochloride Openeye Name: O3-[3-[4-[3-(tert-butylamino)-2-hydroxy-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-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]propyl] ester O5-methyl ester hydrochloride IUPAC Name: 3-O-[3-[4-[3-(tert-butylamino)-2-hydroxypropoxy]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-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]propyl] ester O5-methyl ester hydrochloride Formula: C32H41ClF3N3O8 MolecularWeight: 688.13145

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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)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)C)O)C(=O)OC.Cl

InChI

InChI=1S/C32H40F3N3O8.ClH/c1-20-26(27(40)44-5)17-31(28(37-20)32(33,34)35,22-10-12-23(13-11-22)38(42)43)29(41)45-16-6-7-21-8-14-25(15-9-21)46-19-24(39)18-36-30(2,3)4;/h8-15,24,28,36-37,39H,6-7,16-19H2,1-5H3;1H