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1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)-5-tetrazolyl]methyl]-2,3-dihydroindole

PropertiesImage
MNX_IDMNXM339820 Image of MNXM339820
referencechebi:109156
formulaC21H25N5O3
global charge0
mol weight395.463
InChIKeyVNXRYQGUOXLTPJ-UHFFFAOYSA-N
InChIInChI=1S/C21H25N5O3/c1-27-13-12-26-21(22-23-24-26)20(16-8-9-18(28-2)19(14-16)29-3)25-11-10-15-6-4-5-7-17(15)25/h4-9,14,20H,10-13H2,1-3H3
SMILESCOCCN1N=NN=C1C(C1=CC(OC)=C(OC)C=C1)N1CCC2=CC=CC=C21
MNX internals
InChI (mnx)InChI=1/C21H25N5O3/c1-27-13-12-26-21(22-23-24-26)20(16-8-9-18(28-2)19(14-16)29-3)25-11-10-15-6-4-5-7-17(15)25/h4-9,14,20H,10-13H2,1-3H3/t20? Image of MNXM339820
SMILES (mnx)[CH3:1][O:27][CH2:13][CH2:12][N:26]1[C:21]([CH:20]([C:16]2=[CH:14][C:19]([O:29][CH3:3])=[C:18]([O:28][CH3:2])[CH:9]=[CH:8]2)[N:25]2[CH2:11][CH2:10][C:15]3=[CH:6][CH:4]=[CH:5][CH:7]=[C:17]32)=[N:22][N:23]=[N:24]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:109156
chebi:109156
VNXRYQGUOXLTPJ-UHFFFAOYSA-N
1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)-5-tetrazolyl]methyl]-2,3-dihydroindole