CVK

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Summary

Name:4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline
Formula:C24 H26 N2 O3
Formal charge:0
Molecular weight:390.475 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.64-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C24H26N2O3/c1-26(2)16-17-6-4-7-19(14-17)25-21-11-10-18(15-23(21)27-3)20-8-5-9-22-24(20)29-13-12-28-22/h4-11,14-15,25H,12-13,16H2,1-3H3
InChIKeyInChI1.03LEFMIEUBWDMNAT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(ccc1Nc2cccc(CN(C)C)c2)c3cccc4OCCOc34
SMILESCACTVS3.385COc1cc(ccc1Nc2cccc(CN(C)C)c2)c3cccc4OCCOc34
SMILES_CANONICALOpenEye OEToolkits2.0.6CN(C)Cc1cccc(c1)Nc2ccc(cc2OC)c3cccc4c3OCCO4
SMILESOpenEye OEToolkits2.0.6CN(C)Cc1cccc(c1)Nc2ccc(cc2OC)c3cccc4c3OCCO4
170383
PDB entries from 2020-10-28