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A1H32

Summary
Name:5-phenylmethoxy-1~{H}-indole
Formula:C15 H13 N O
Formal charge:0
Formula weight:223.27 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-phenylmethoxy-1~{H}-indole

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C15H13NO/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15/h1-10,16H,11H2
InChIKeyInChI1.06JCQLPDZCNSVBMS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C(Oc1ccc2[nH]ccc2c1)c3ccccc3
SMILESCACTVS3.385C(Oc1ccc2[nH]ccc2c1)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)COc2ccc3c(c2)cc[nH]3
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)COc2ccc3c(c2)cc[nH]3

249697

PDB entries from 2026-02-25

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