Isopropyl 2-Methoxyethyl (4S)-2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydro-3,5-Pyridinedicarboxylate

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Formula C21H26N2O7
IUPAC Name o5-isopropyl o3-(2-methoxyethyl) (4s)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Mass 418.440 g·mol−1
Heat of Formation -875.6 ± 16.7 kJ·mol−1
Dipole Moment 8.39 ± 1.08 D
Volume 496.98 Å 3
Surface Area 377.78 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid o3-isopropyl o5-(2-methoxyethyl) ester
  • 3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl 1-methylethyl ester, (4s)-
  • o3-isopropyl o5-(2-methoxyethyl) (4s)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  • o5-(2-methoxyethyl) o3-propan-2-yl (4s)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS Number(s)
  • 77940-93-3
InChIKey UIAGMCDKSXEBJQ-IBGZPJMESA-N
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