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1-[(1S,2aR,8bR)-1-(hydroxymethyl)-2-(4-oxazolylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-1-butanone

PropertiesImage
MNX_IDMNXM338918 Image of MNXM338918
referencechebi:126123
formulaC19H23N3O3
global charge0
mol weight341.411
InChIKeyDJJJRMTZLLUIKB-YQVWRLOYSA-N
InChIInChI=1S/C19H23N3O3/c1-2-5-18(24)22-9-16-19(14-6-3-4-7-15(14)22)17(10-23)21(16)8-13-11-25-12-20-13/h3-4,6-7,11-12,16-17,19,23H,2,5,8-10H2,1H3/t16-,17+,19+/m0/s1
SMILESCCCC(=O)N1C[C@H]2[C@@H](C3=CC=CC=C31)[C@@H](CO)N2CC1=COC=N1
MNX internals
InChI (mnx)InChI=1/C19H23N3O3/c1-2-5-18(24)22-9-16-19(14-6-3-4-7-15(14)22)17(10-23)21(16)8-13-11-25-12-20-13/h3-4,6-7,11-12,16-17,19,23H,2,5,8-10H2,1H3/t16-,17+,19+/m0/s1 Image of MNXM338918
SMILES (mnx)[CH3:1][CH2:2][CH2:5][C:18]([N:22]1[CH2:9][C@H:16]2[C@@H:19]([C:14]3=[CH:6][CH:3]=[CH:4][CH:7]=[C:15]31)[C@@H:17]([CH2:10][OH:23])[N:21]2[CH2:8][C:13]1=[CH:11][O:25][CH:12]=[N:20]1)=[O:24]
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:126123
chebi:126123
DJJJRMTZLLUIKB-YQVWRLOYSA-N
1-[(1S,2aR,8bR)-1-(hydroxymethyl)-2-(4-oxazolylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-1-butanone