2-[[(2S)-2-ethylhexanoyl]-methyl-amino]benzoate

Systemtic Name: 2-[[(2S)-2-ethylhexanoyl]-methyl-amino]benzoate Openeye Name: 2-[[(2S)-2-ethylhexanoyl]-methyl-amino]benzoate CAS Name: 2-[[(2S)-2-ethyl-1-oxohexyl]-methylamino]benzoate IUPAC Name: 2-[[(2S)-2-ethylhexanoyl]-methylamino]benzoate Traditional Name: 2-[[(2S)-2-ethylhexanoyl]-methyl-amino]benzoate Formula: C16H22NO3- MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N(C)C1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)C(=O)N(C)C1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C16H23NO3/c1-4-6-9-12(5-2)15(18)17(3)14-11-8-7-10-13(14)16(19)20/h7-8,10-12H,4-6,9H2,1-3H3,(H,19,20)/p-1/t12-/m0/s1