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(Q82903921)
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English
5-Methyl-2-(propan-2-yl)cyclohexyl 2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1-carboxylate
group of stereoisomers with the chemical formula C₂₅H₃₅NO₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
413.2566086
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₃₅NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1CCC(C(C)C)C(OC(=O)C2C(C(=O)N3CCOCC3)C2c2ccccc2)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)C1CC[C@@H](C)CC1OC(=O)[C@H]1[C@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C25H35NO4/c1-16(2)19-10-9-17(3)15-20(19)30-25(28)23-21(18-7-5-4-6-8-18)22(23)24(27)26-11-13-29-14-12-26/h4-8,16-17,19-23H,9-15H2,1-3H3/t17-,19?,20?,21+,22-,23-/m1/s1
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InChIKey
WCVZLIYUMIYTFG-CHWXNYRKSA-N
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CAS Registry Number
135588-56-6
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PubChem CID
131895
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
50729400
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00929080
0 references
DSSTOX compound identifier
DTXCID701357837
0 references
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