(3S)-1-[(2S)-2-ethylhexanoyl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[(2S)-2-ethylhexanoyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[(2S)-2-ethylhexanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2S)-2-ethyl-1-oxohexyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[(2S)-2-ethylhexanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2S)-2-ethylhexanoyl]nipecotate Formula: C14H24NO3- MolecularWeight: 254.34526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCCC(C1)C(=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)C(=O)N1CCC[C@@H](C1)C(=O)[O-]

InChI

InChI=1S/C14H25NO3/c1-3-5-7-11(4-2)13(16)15-9-6-8-12(10-15)14(17)18/h11-12H,3-10H2,1-2H3,(H,17,18)/p-1/t11-,12-/m0/s1