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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > piperidines > 5-o-[(3r)-1-benzylpiperidin-3-yl] 3-o-methyl (4s)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > 5-o-[(3r)-1-benzylpiperidin-3-yl] 3-o-methyl (4s)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperidines > 5-o-[(3r)-1-benzylpiperidin-3-yl] 3-o-methyl (4s)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperidines > 5-o-[(3r)-1-benzylpiperidin-3-yl] 3-o-methyl (4s)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperidines > 5-o-[(3r)-1-benzylpiperidin-3-yl] 3-o-methyl (4s)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate

Preferred term

5-o-[(3r)-1-benzylpiperidin-3-yl] 3-o-methyl (4s)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C28H31N3O6

inchi

  • InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23-24,26H,8,13-14,16-17H2,1-3H3/t23-,24?,26-/m1/s1

inchikey

  • VATGWEZOSFWWCV-SKWHODKYSA-N

mass

  • 505.563

monoisotopicmass

  • 505.22129

smiles

  • CC1=NC(=C([C@@H](C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O[C@@H]3CCCN(C3)CC4=CC=CC=C4)C

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94367

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