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1-[2-[[(3-chloro-4-methoxyanilino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester

PropertiesImage
MNX_IDMNXM340909 Image of MNXM340909
referencechebi:93402
formulaC20H28ClN3O5
global charge0
mol weight425.913
InChIKeyUPHKKUIXSHQDEA-UHFFFAOYSA-N
InChIInChI=1S/C20H28ClN3O5/c1-5-29-17(25)13-8-10-24(11-9-13)18(26)20(2,3)23-19(27)22-14-6-7-16(28-4)15(21)12-14/h6-7,12-13H,5,8-11H2,1-4H3,(H2,22,23,27)
SMILESCCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)NC2=CC(Cl)=C(OC)C=C2)CC1
MNX internals
InChI (mnx)InChI=1/C20H28ClN3O5/c1-5-29-17(25)13-8-10-24(11-9-13)18(26)20(2,3)23-19(27)22-14-6-7-16(28-4)15(21)12-14/h6-7,12-13H,5,8-11H2,1-4H3,(H2,22,23,27) Image of MNXM340909
SMILES (mnx)[CH3:1][CH2:5][O:29][C:17]([CH:13]1[CH2:8][CH2:10][N:24]([C:18]([C:20]([CH3:2])([CH3:3])[NH:23][C:19](=[N:22][C:14]2=[CH:12][C:15]([Cl:21])=[C:16]([O:28][CH3:4])[CH:7]=[CH:6]2)[OH:27])=[O:26])[CH2:11][CH2:9]1)=[O:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:93402
chebi:93402
UPHKKUIXSHQDEA-UHFFFAOYSA-N
1-[2-[[(3-chloro-4-methoxyanilino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester