4-[[(2S)-2-ethylhexyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(2S)-2-ethylhexyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(2S)-2-ethylhexyl]amino]-4-oxo-butanoate CAS Name: 4-[[(2S)-2-ethylhexyl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2S)-2-ethylhexyl]amino]-4-oxobutanoate Traditional Name: 4-[[(2S)-2-ethylhexyl]amino]-4-keto-butyrate Formula: C12H22NO3- MolecularWeight: 228.30798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C12H23NO3/c1-3-5-6-10(4-2)9-13-11(14)7-8-12(15)16/h10H,3-9H2,1-2H3,(H,13,14)(H,15,16)/p-1/t10-/m0/s1