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

Properties Image MNX_ID MNXM103018 reference chebi:94367 formula C28H31N3O6 global charge 0 mol weight 505.571 InChIKey VATGWEZOSFWWCV-SKWHODKYSA-N 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 SMILES COC(=O)C1C(C)=NC(C)=C(C(=O)O[C@@H]2CCCN(CC3=CC=CC=C3)C2)[C@@H]1C1=CC([N+](=O)[O-])=CC=C1 MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [CH3:1][C:18]1=[N:29][C:19]([CH3:2])=[C:25]([C:28](=[O:33])[O:37][C@@H:23]2[CH2:13][CH2:8][CH2:14][N:30]([CH2:16][C:20]3=[CH:9][CH:5]=[CH:4][CH:6]=[CH:10]3)[CH2:17]2)[C@H:26]([C:21]2=[CH:15][C:22]([N+:31]([O-:34])=[O:35])=[CH:12][CH:7]=[CH:11]2)[CH:24]1[C:27](=[O:32])[O:36][CH3:3]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0