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7FD

Summary
Name:ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate
Formula:C24 H26 O3
Formal charge:0
Formula weight:362.461 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate
OpenEye OEToolkits2.0.6ethyl 3-[4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccc(cc1)\C(=C2/CCCCC2)c3ccc([C@H]=CC(=O)OCC)cc3
InChIInChI1.03InChI=1S/C24H26O3/c1-2-27-23(26)17-10-18-8-11-20(12-9-18)24(19-6-4-3-5-7-19)21-13-15-22(25)16-14-21/h8-17,25H,2-7H2,1H3
InChIKeyInChI1.03MKPHJXXMCBKSTI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)C=Cc1ccc(cc1)[C](=[C]2CC[CH2]CC2)c3ccc(O)cc3
SMILESCACTVS3.385CCOC(=O)C=Cc1ccc(cc1)[C](=[C]2CC[CH2]CC2)c3ccc(O)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.6CCOC(=O)C=Cc1ccc(cc1)C(=C2CCCCC2)c3ccc(cc3)O
SMILESOpenEye OEToolkits2.0.6CCOC(=O)C=Cc1ccc(cc1)C(=C2CCCCC2)c3ccc(cc3)O

223166

數據於2024-07-31公開中

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