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2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol

PropertiesImage
MNX_IDMNXM34347 Image of MNXM34347
referencechebi:79680
formulaC25H31NO3
global charge0
mol weight393.527
InChIKeySBRIHEHOOSDSDU-UHFFFAOYSA-N
InChIInChI=1S/C25H31NO3/c1-5-19-20-12-13-22(27)21(16-26-14-6-7-15-26)24(20)29-25(2,3)23(19)17-8-10-18(28-4)11-9-17/h8-13,27H,5-7,14-16H2,1-4H3
SMILESCCC1=C(C2=CC=C(OC)C=C2)C(C)(C)OC2=C1C=CC(O)=C2CN1CCCC1
MNX internals
InChI (mnx)InChI=1/C25H31NO3/c1-5-19-20-12-13-22(27)21(16-26-14-6-7-15-26)24(20)29-25(2,3)23(19)17-8-10-18(28-4)11-9-17/h8-13,27H,5-7,14-16H2,1-4H3 Image of MNXM34347
SMILES (mnx)[CH3:1][CH2:5][C:19]1=[C:23]([C:17]2=[CH:9][CH:11]=[C:18]([O:28][CH3:4])[CH:10]=[CH:8]2)[C:25]([CH3:2])([CH3:3])[O:29][C:24]2=[C:20]1[CH:12]=[CH:13][C:22]([OH:27])=[C:21]2[CH2:16][N:26]1[CH2:14][CH2:6][CH2:7][CH2:15]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:79680
chebi:79680
SBRIHEHOOSDSDU-UHFFFAOYSA-N 		2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol
4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-7-ol

seed.compound:cpd10856
seedM:cpd10856
SBRIHEHOOSDSDU-UHFFFAOYSA-O 		2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)- 2H-1-benzopyran-7-ol
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol

kegg.compound:C15162
keggC:C15162
SBRIHEHOOSDSDU-UHFFFAOYSA-N 		2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol

keggC:M_C15162
seedM:M_cpd10856 		secondary/obsolete/fantasy identifier