O3-[3-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]propyl] O5-ethyl 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-ethyl 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-ethyl 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-ethyl ester hydrochloride IUPAC Name: 3-O-[3-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]propyl] 5-O-ethyl 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-ethyl ester hydrochloride Formula: C33H43ClF3N3O8 MolecularWeight: 702.15803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(C(C1)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCCC3=CC=C(C=C3)OCC(CNC(C)(C)C)O)C(F)(F)F)C.Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(C(C1)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCCC3=CC=C(C=C3)OCC(CNC(C)(C)C)O)C(F)(F)F)C.Cl

InChI

InChI=1S/C33H42F3N3O8.ClH/c1-6-45-28(41)27-18-32(29(33(34,35)36)38-21(27)2,23-11-13-24(14-12-23)39(43)44)30(42)46-17-7-8-22-9-15-26(16-10-22)47-20-25(40)19-37-31(3,4)5;/h9-16,25,29,37-38,40H,6-8,17-20H2,1-5H3;1H