methyl 5-cyano-2-(1,1,2,2,2-pentadeuterioethyl)pentanoate

Systemtic Name: methyl 5-cyano-2-(1,1,2,2,2-pentadeuterioethyl)pentanoate Openeye Name: methyl 5-cyano-2-(1,1,2,2,2-pentadeuterioethyl)pentanoate CAS Name: 5-cyano-2-(1,1,2,2,2-pentadeuterioethyl)pentanoic acid methyl ester IUPAC Name: methyl 5-cyano-2-(1,1,2,2,2-pentadeuterioethyl)pentanoate Traditional Name: 5-cyano-2-(1,1,2,2,2-pentadeuterioethyl)valeric acid methyl ester Formula: C9H15NO2 MolecularWeight: 174.251709

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC#N)C(=O)OC

Isomeric SMILES

[2H]C([2H])([2H])C([2H])([2H])C(CCCC#N)C(=O)OC

InChI

InChI=1S/C9H15NO2/c1-3-8(9(11)12-2)6-4-5-7-10/h8H,3-6H2,1-2H3/i1D3,3D2