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

Systemtic Name: 4-[[(2S)-2-ethylhexanoyl]amino]-2-oxidanyl-benzoate Openeye Name: 4-[[(2S)-2-ethylhexanoyl]amino]-2-hydroxy-benzoate CAS Name: 4-[[(2S)-2-ethyl-1-oxohexyl]amino]-2-hydroxybenzoate IUPAC Name: 4-[[(2S)-2-ethylhexanoyl]amino]-2-hydroxybenzoate Traditional Name: 4-[[(2S)-2-ethylhexanoyl]amino]-2-hydroxy-benzoate Formula: C15H20NO4- MolecularWeight: 278.3236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4/c1-3-5-6-10(4-2)14(18)16-11-7-8-12(15(19)20)13(17)9-11/h7-10,17H,3-6H2,1-2H3,(H,16,18)(H,19,20)/p-1/t10-/m0/s1