5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate (Q27166207)

CID91522200 (English)

9 October 2016

chemical formula

C₂₈H₃₁N₃O₆

1 reference

CID91522200 (English)

9 October 2016

canonical SMILES

CC1=NC(=C(C(C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CCCN(C3)CC4=CC=CC=C4)C

1 reference

CID91522200 (English)

9 October 2016

isomeric 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

1 reference

CID91522200 (English)

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

9 October 2016

Identifiers

InChI

1 reference

CID91522200 (English)

VATGWEZOSFWWCV-SKWHODKYSA-N

9 October 2016

InChIKey

2 references

CID91522200 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

CID91522200 (English)

matched by identifier from

9 October 2016

InChIKey

VATGWEZOSFWWCV-SKWHODKYSA-N

ChEBI ID

94367

mapping relation type

2 references

5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate (English)