(Q104246453)

English

(1S,3S,4S,6R)-6-chloro-1-ethenyl-3-(1H-indol-3-yl)-2-isocyano-1-methyl-4-(prop-1-en-2-yl)cyclohexane

group of stereoisomers with the chemical formula C₂₁H₂₃ClN₂

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Statements

instance of

group of stereoisomers

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1 reference

338.154976416 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₃ClN₂

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canonical SMILES

[C-]#[N+]C1C(C2=CNC=3C=CC=CC32)C(C(=C)C)CC(Cl)C1(C=C)C

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isomeric SMILES

[C-]#[N+]C1[C@H](c2c[nH]c3ccccc23)[C@@H](C(=C)C)C[C@@H](Cl)[C@@]1(C)C=C

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Identifiers

InChI

InChI=1S/C21H23ClN2/c1-6-21(4)18(22)11-15(13(2)3)19(20(21)23-5)16-12-24-17-10-8-7-9-14(16)17/h6-10,12,15,18-20,24H,1-2,11H2,3-4H3/t15-,18-,19+,20?,21-/m1/s1

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InChIKey

IJEJDCXOVNHHAX-MUUICVMPSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

IJEJDCXOVNHHAX-MUUICVMPSA-N

1 reference

1 reference

matched by identifier from

InChIKey

IJEJDCXOVNHHAX-MUUICVMPSA-N

(Q104246453)

(1S,3S,4S,6R)-6-chloro-1-ethenyl-3-(1H-indol-3-yl)-2-isocyano-1-methyl-4-(prop-1-en-2-yl)cyclohexane

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