(Q82890945)

English

(8-Methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)methyl cyclopentyl(hydroxy)phenylacetate

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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355.214743788 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₉NO₃

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based on heuristic

inferred from SMILES

canonical SMILES

CN1C2CC=C(COC(=O)C(O)(c3ccccc3)C3CCCC3)C1CC2

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN1[C@H]2CC=C(COC(=O)C(O)(c3ccccc3)C3CCCC3)[C@@H]1CC2

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C22H29NO3/c1-23-19-12-11-16(20(23)14-13-19)15-26-21(24)22(25,18-9-5-6-10-18)17-7-3-2-4-8-17/h2-4,7-8,11,18-20,25H,5-6,9-10,12-15H2,1H3/t19-,20-,22?/m0/s1

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OXRLUBCSJKPGQH-ZDOMSUIMSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID401347651

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