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CVD

Summary
Name:(2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL
Synonyms:CARVEDILOL
Formula:C24 H26 N2 O4
Formal charge:0
Formula weight:406.474 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-1-(9H-carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol
OpenEye OEToolkits1.7.6(2S)-1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(c4ccccc4OCCNCC(O)COc3cccc2c3c1c(cccc1)n2)C
InChIInChI1.03InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/m0/s1
InChIKeyInChI1.03OGHNVEJMJSYVRP-KRWDZBQOSA-N
SMILES_CANONICALCACTVS3.370COc1ccccc1OCCNC[C@H](O)COc2cccc3[nH]c4ccccc4c23
SMILESCACTVS3.370COc1ccccc1OCCNC[CH](O)COc2cccc3[nH]c4ccccc4c23
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1ccccc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O
SMILESOpenEye OEToolkits1.7.6COc1ccccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O

218853

PDB entries from 2024-04-24

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