(Q82696417)

English

Methyl 2-[4-(4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}but-1-yn-1-yl)phenyl]-2-(~2~H_3_)methyl(~2~H_3_)propanoate

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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495.653 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₃H₃₇NO₃

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canonical SMILES

[2H]C([2H])([2H])C(C1=CC=C(C=C1)C#CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)(C(=O)OC)C([2H])([2H])[2H]

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Identifiers

InChI=1S/C33H37NO3/c1-32(2,31(35)37-3)27-19-17-26(18-20-27)12-10-11-23-34-24-21-30(22-25-34)33(36,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-9,13-20,30,36H,11,21-25H2,1-3H3/i1D3,2D3

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DKWKEPIGDFDPRT-WFGJKAKNSA-N

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CAS Registry Number

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1 reference

matched by identifier from

DKWKEPIGDFDPRT-WFGJKAKNSA-N

UniChem compound ID

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DSSTox substance ID

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matched by identifier from

DKWKEPIGDFDPRT-WFGJKAKNSA-N

DSSTOX compound identifier

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