1U9

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Summary

Name:6-{(E)-2-[3-(2-hydroxyethyl)phenyl]ethenyl}naphthalene-2-carboximidamide
Formula:C21 H20 N2 O
Formal charge:0
Molecular weight:316.396 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-{(E)-2-[3-(2-hydroxyethyl)phenyl]ethenyl}naphthalene-2-carboximidamide
OpenEye OEToolkits1.7.66-[(E)-2-[3-(2-hydroxyethyl)phenyl]ethenyl]naphthalene-2-carboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OCCc1cccc(c1)\C=C\c3cc2ccc(C(=[N@H])N)cc2cc3
InChIInChI1.03InChI=1S/C21H20N2O/c22-21(23)20-9-8-18-13-17(6-7-19(18)14-20)5-4-15-2-1-3-16(12-15)10-11-24/h1-9,12-14,24H,10-11H2,(H3,22,23)/b5-4+
InChIKeyInChI1.03RRGBOWXXLBROIW-SNAWJCMRSA-N
SMILES_CANONICALCACTVS3.370NC(=N)c1ccc2cc(/C=C/c3cccc(CCO)c3)ccc2c1
SMILESCACTVS3.370NC(=N)c1ccc2cc(C=Cc3cccc(CCO)c3)ccc2c1
SMILES_CANONICALOpenEye OEToolkits1.7.6[H]/N=C(/c1ccc2cc(ccc2c1)/C=C/c3cccc(c3)CCO)\N
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)C=Cc2ccc3cc(ccc3c2)C(=N)N)CCO
171588
PDB entries from 2020-11-25