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LSM-36462

PropertiesImage
MNX_IDMNXM529814 Image of MNXM529814
referencechebi:125000
formulaC20H27N3O2
global charge0
mol weight341.455
InChIKeyJHJKTHBCWFMANP-UFRUDQCGSA-N
InChIInChI=1S/C20H27N3O2/c1-2-3-15-4-6-16(7-5-15)20-17-12-23(13-18(20)21-17)19(24)14-22-8-10-25-11-9-22/h2-7,17-18,20-21H,8-14H2,1H3/t17-,18+,20?
SMILESCC=CC1=CC=C(C2[C@@H]3CN(C(=O)CN4CCOCC4)C[C@H]2N3)C=C1
MNX internals
InChI (mnx)InChI=1/C20H27N3O2/c1-2-3-15-4-6-16(7-5-15)20-17-12-23(13-18(20)21-17)19(24)14-22-8-10-25-11-9-22/h2-7,17-18,20-21H,8-14H2,1H3/b3-2?/t17-,18+,20? Image of MNXM529814
SMILES (mnx)[CH3:1][CH:2]=[CH:3][C:15]1=[CH:5][CH:7]=[C:16]([CH:20]2[C@@H:17]3[CH2:12][N:23]([C:19]([CH2:14][N:22]4[CH2:8][CH2:10][O:25][CH2:11][CH2:9]4)=[O:24])[CH2:13][C@H:18]2[NH:21]3)[CH:6]=[CH:4]1
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:125000
chebi:125000
JHJKTHBCWFMANP-UFRUDQCGSA-N 		LSM-36462