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CTX

Summary
Name:(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE
Synonyms:TRANS FORM OF TAMOXIFEN
Formula:C26 H29 N O
Formal charge:0
Formula weight:371.515 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine
OpenEye OEToolkits1.5.02-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(c1ccc(cc1)/C(c2ccccc2)=C(\c3ccccc3)CC)CCN(C)C
SMILES_CANONICALCACTVS3.341CC/C(c1ccccc1)=C(c2ccccc2)/c3ccc(OCCN(C)C)cc3
SMILESCACTVS3.341CCC(c1ccccc1)=C(c2ccccc2)c3ccc(OCCN(C)C)cc3
SMILES_CANONICALOpenEye OEToolkits1.5.0CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
SMILESOpenEye OEToolkits1.5.0CCC(=C(c1ccccc1)c2ccc(cc2)OCCN(C)C)c3ccccc3
InChIInChI1.03InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
InChIKeyInChI1.03NKANXQFJJICGDU-QPLCGJKRSA-N

218500

PDB entries from 2024-04-17

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