3-(2-ethylhexylcarbamoyloxycarbonyl)hexanoic acid

Systemtic Name: 3-(2-ethylhexylcarbamoyloxycarbonyl)hexanoic acid Openeye Name: 3-(2-ethylhexylcarbamoyloxycarbonyl)hexanoic acid CAS Name: 3-[[(2-ethylhexylamino)-oxomethoxy]-oxomethyl]hexanoic acid IUPAC Name: 3-(2-ethylhexylcarbamoyloxycarbonyl)hexanoic acid Traditional Name: 3-(2-ethylhexylcarbamoyloxycarbonyl)hexanoic acid Formula: C16H29NO5 MolecularWeight: 315.40516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)OC(=O)C(CCC)CC(=O)O

Isomeric SMILES

CCCCC(CC)CNC(=O)OC(=O)C(CCC)CC(=O)O

InChI

InChI=1S/C16H29NO5/c1-4-7-9-12(6-3)11-17-16(21)22-15(20)13(8-5-2)10-14(18)19/h12-13H,4-11H2,1-3H3,(H,17,21)(H,18,19)