4-[[(2S)-2-ethylhexanoyl]amino]benzoate

Systemtic Name: 4-[[(2S)-2-ethylhexanoyl]amino]benzoate Openeye Name: 4-[[(2S)-2-ethylhexanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-ethyl-1-oxohexyl]amino]benzoate IUPAC Name: 4-[[(2S)-2-ethylhexanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-ethylhexanoyl]amino]benzoate Formula: C15H20NO3- MolecularWeight: 262.3242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)C(=O)NC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C15H21NO3/c1-3-5-6-11(4-2)14(17)16-13-9-7-12(8-10-13)15(18)19/h7-11H,3-6H2,1-2H3,(H,16,17)(H,18,19)/p-1/t11-/m0/s1