(1-cyanocyclohexyl) 2-bromanylbutanoate; ethyl 2-bromanylpentanoate

Systemtic Name: (1-cyanocyclohexyl) 2-bromanylbutanoate; ethyl 2-bromanylpentanoate Openeye Name: (1-cyanocyclohexyl) 2-bromobutanoate; ethyl 2-bromopentanoate CAS Name: 2-bromobutanoic acid (1-cyanocyclohexyl) ester; 2-bromopentanoic acid ethyl ester IUPAC Name: (1-cyanocyclohexyl) 2-bromobutanoate; ethyl 2-bromopentanoate Traditional Name: 2-bromobutyric acid (1-cyanocyclohexyl) ester; 2-bromovaleric acid ethyl ester Formula: C18H29Br2NO4 MolecularWeight: 483.23516

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)Br.CCC(C(=O)OC1(CCCCC1)C#N)Br

Isomeric SMILES

CCCC(C(=O)OCC)Br.CCC(C(=O)OC1(CCCCC1)C#N)Br

InChI

InChI=1S/C11H16BrNO2.C7H13BrO2/c1-2-9(12)10(14)15-11(8-13)6-4-3-5-7-11;1-3-5-6(8)7(9)10-4-2/h9H,2-7H2,1H3;6H,3-5H2,1-2H3