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LSM-4563

PropertiesImage
MNX_IDMNXM530447 Image of MNXM530447
referencechebi:93978
formulaC21H22N2O3
global charge0
mol weight350.418
InChIKeyMKMOAAUKKIBCGE-UHFFFAOYSA-N
InChIInChI=1S/C21H22N2O3/c1-4-15-14-11-25-21(2,3)10-13(14)16-17(22)19(26-20(16)23-15)18(24)12-8-6-5-7-9-12/h5-9H,4,10-11,22H2,1-3H3
SMILESCCC1=C2COC(C)(C)CC2=C2C(=N1)OC(C(=O)C1=CC=CC=C1)=C2N
MNX internals
InChI (mnx)InChI=1/C21H22N2O3/c1-4-15-14-11-25-21(2,3)10-13(14)16-17(22)19(26-20(16)23-15)18(24)12-8-6-5-7-9-12/h5-9H,4,10-11,22H2,1-3H3 Image of MNXM530447
SMILES (mnx)[CH3:1][CH2:4][C:15]1=[N:23][C:20]2=[C:16]([C:13]3=[C:14]1[CH2:11][O:25][C:21]([CH3:2])([CH3:3])[CH2:10]3)[C:17]([NH2:22])=[C:19]([C:18]([C:12]1=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]1)=[O:24])[O:26]2
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:93978
chebi:93978
MKMOAAUKKIBCGE-UHFFFAOYSA-N 		LSM-4563