methyl (3S,4S)-4-cyano-3-methyl-pentanoate

Systemtic Name: methyl (3S,4S)-4-cyano-3-methyl-pentanoate Openeye Name: methyl (3S,4S)-4-cyano-3-methyl-pentanoate CAS Name: (3S,4S)-4-cyano-3-methylpentanoic acid methyl ester IUPAC Name: methyl (3S,4S)-4-cyano-3-methylpentanoate Traditional Name: (3S,4S)-4-cyano-3-methyl-valeric acid methyl ester Formula: C8H13NO2 MolecularWeight: 155.19432

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C(C)C#N

Isomeric SMILES

C[C@@H](CC(=O)OC)[C@H](C)C#N

InChI

InChI=1S/C8H13NO2/c1-6(7(2)5-9)4-8(10)11-3/h6-7H,4H2,1-3H3/t6-,7+/m0/s1