(Q82878583)

English

(3-Phenoxyphenyl)methyl 3-[1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate

group of stereoisomers with the chemical formula C₃₁H₃₀N₂O₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

510.2154720599999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₀N₂O₅

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based on heuristic

inferred from SMILES

canonical SMILES

CC1(C)C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1C1N(N2C(=O)c3ccccc3C2=O)C1(C)C

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1(C)[C@@H]([C@@H]2N(N3C(=O)c4ccccc4C3=O)C2(C)C)[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C31H30N2O5/c1-30(2)24(26-31(3,4)33(26)32-27(34)22-15-8-9-16-23(22)28(32)35)25(30)29(36)37-18-19-11-10-14-21(17-19)38-20-12-6-5-7-13-20/h5-17,24-26H,18H2,1-4H3/t24-,25+,26+,33?/m1/s1

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InChIKey

GEOMQJQPAIGQCX-YFYRTDRHSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID501338118

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(Q82878583)

(3-Phenoxyphenyl)methyl 3-[1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate

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