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JC5

Summary
Name:[3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine
Formula:C20 H27 N3 O2
Formal charge:0
Formula weight:341.447 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H27N3O2/c1-24-20-18(12-22)9-15(11-21)10-19(20)25-8-4-7-23-13-16-5-2-3-6-17(16)14-23/h2-3,5-6,9-10H,4,7-8,11-14,21-22H2,1H3
InChIKeyInChI1.03XQQZNYFJATXWON-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1c(CN)cc(CN)cc1OCCCN2Cc3ccccc3C2
SMILESCACTVS3.385COc1c(CN)cc(CN)cc1OCCCN2Cc3ccccc3C2
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1c(cc(cc1OCCCN2Cc3ccccc3C2)CN)CN
SMILESOpenEye OEToolkits2.0.7COc1c(cc(cc1OCCCN2Cc3ccccc3C2)CN)CN

217705

數據於2024-03-27公開中

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