(Q105202437)

English

[(S)-cyano-(3-phenoxyphenyl)methyl] (3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate

group of stereoisomers with the chemical formula C₂₂H₁₉Br₂NO₃

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Statements

group of stereoisomers

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chemical compound

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502.973167668 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₁₉Br₂NO₃

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canonical SMILES

N#CC(OC(=O)C1C(C=C(Br)Br)C1(C)C)C=2C=CC=C(OC=3C=CC=CC3)C2

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isomeric SMILES

CC1(C)C(C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Br)Br

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Camptotheca acuminata

1 reference

Plant Antitumor Agents. I. The Isolation and Structure of Camptothecin, a Novel Alkaloidal Leukemia and Tumor Inhibitor from Camptotheca acuminata1,2

Identifiers

InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20?/m0/s1

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OWZREIFADZCYQD-IVAAQHKWSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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