2-[4-(2-azanylethanoyl)-2-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenoxy]-2-butyl-hexanoate

Systemtic Name: 2-[4-(2-azanylethanoyl)-2-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenoxy]-2-butyl-hexanoate Openeye Name: 2-[4-(2-aminoacetyl)-2-(2-oxido-2-oxo-ethoxy)phenoxy]-2-butyl-hexanoate CAS Name: 2-[4-(2-amino-1-oxoethyl)-2-(2-oxido-2-oxoethoxy)phenoxy]-2-butylhexanoate IUPAC Name: 2-[4-(2-aminoacetyl)-2-(2-oxido-2-oxoethoxy)phenoxy]-2-butylhexanoate Traditional Name: 2-butyl-2-[4-glycyl-2-(2-keto-2-oxido-ethoxy)phenoxy]hexanoate Formula: C20H27NO7-2 MolecularWeight: 393.43088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(=O)[O-])OC1=C(C=C(C=C1)C(=O)CN)OCC(=O)[O-]

Isomeric SMILES

CCCCC(CCCC)(C(=O)[O-])OC1=C(C=C(C=C1)C(=O)CN)OCC(=O)[O-]

InChI

InChI=1S/C20H29NO7/c1-3-5-9-20(19(25)26,10-6-4-2)28-16-8-7-14(15(22)12-21)11-17(16)27-13-18(23)24/h7-8,11H,3-6,9-10,12-13,21H2,1-2H3,(H,23,24)(H,25,26)/p-2