2-[4-[[(2S)-2-ethylhexanoyl]amino]phenyl]ethanoate

Systemtic Name: 2-[4-[[(2S)-2-ethylhexanoyl]amino]phenyl]ethanoate Openeye Name: 2-[4-[[(2S)-2-ethylhexanoyl]amino]phenyl]acetate CAS Name: 2-[4-[[(2S)-2-ethyl-1-oxohexyl]amino]phenyl]acetate IUPAC Name: 2-[4-[[(2S)-2-ethylhexanoyl]amino]phenyl]acetate Traditional Name: 2-[4-[[(2S)-2-ethylhexanoyl]amino]phenyl]acetate Formula: C16H22NO3- MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-3-5-6-13(4-2)16(20)17-14-9-7-12(8-10-14)11-15(18)19/h7-10,13H,3-6,11H2,1-2H3,(H,17,20)(H,18,19)/p-1/t13-/m0/s1