OHT

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Summary

Name:4-HYDROXYTAMOXIFEN
Formula:C26 H29 N O2
Formal charge:0
Molecular weight:387.514 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol
OpenEye OEToolkits1.5.04-[(Z)-1-[4-(2-dimethylaminoethoxy)phenyl]-2-phenyl-but-1-enyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(c1ccc(cc1)/C(c2ccc(O)cc2)=C(\c3ccccc3)CC)CCN(C)C
SMILES_CANONICALCACTVS3.341CC\C(c1ccccc1)=C(/c2ccc(O)cc2)c3ccc(OCCN(C)C)cc3
SMILESCACTVS3.341CCC(c1ccccc1)=C(c2ccc(O)cc2)c3ccc(OCCN(C)C)cc3
SMILES_CANONICALOpenEye OEToolkits1.5.0CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
SMILESOpenEye OEToolkits1.5.0CCC(=C(c1ccc(cc1)O)c2ccc(cc2)OCCN(C)C)c3ccccc3
InChIInChI1.03InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
InChIKeyInChI1.03TXUZVZSFRXZGTL-QPLCGJKRSA-N
167132
PDB entries from 2020-07-29