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IR5

Summary
Name:1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone
Formula:C23 H19 N O3
Formal charge:0
Formula weight:357.402 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone
OpenEye OEToolkits1.7.61-[1-[2-(hydroxymethyl)phenyl]-7-phenoxy-indolizin-3-yl]ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c2cc(c3cc(Oc1ccccc1)ccn23)c4ccccc4CO)C
InChIInChI1.03InChI=1S/C23H19NO3/c1-16(26)22-14-21(20-10-6-5-7-17(20)15-25)23-13-19(11-12-24(22)23)27-18-8-3-2-4-9-18/h2-14,25H,15H2,1H3
InChIKeyInChI1.03AHWAKNWAECVAHU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CC(=O)c1cc(c2cc(Oc3ccccc3)ccn12)c4ccccc4CO
SMILESCACTVS3.370CC(=O)c1cc(c2cc(Oc3ccccc3)ccn12)c4ccccc4CO
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4CO
SMILESOpenEye OEToolkits1.7.6CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4CO

223532

數據於2024-08-07公開中

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