2-[4-(2-azanylethyl)-2-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenoxy]-2-ethyl-butanoate

Systemtic Name: 2-[4-(2-azanylethyl)-2-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenoxy]-2-ethyl-butanoate Openeye Name: 2-[4-(2-aminoethyl)-2-(2-oxido-2-oxo-ethoxy)phenoxy]-2-ethyl-butanoate CAS Name: 2-[4-(2-aminoethyl)-2-(2-oxido-2-oxoethoxy)phenoxy]-2-ethylbutanoate IUPAC Name: 2-[4-(2-aminoethyl)-2-(2-oxido-2-oxoethoxy)phenoxy]-2-ethylbutanoate Traditional Name: 2-[4-(2-aminoethyl)-2-(2-keto-2-oxido-ethoxy)phenoxy]-2-ethyl-butyrate Formula: C16H21NO6-2 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)[O-])OC1=C(C=C(C=C1)CCN)OCC(=O)[O-]

Isomeric SMILES

CCC(CC)(C(=O)[O-])OC1=C(C=C(C=C1)CCN)OCC(=O)[O-]

InChI

InChI=1S/C16H23NO6/c1-3-16(4-2,15(20)21)23-12-6-5-11(7-8-17)9-13(12)22-10-14(18)19/h5-6,9H,3-4,7-8,10,17H2,1-2H3,(H,18,19)(H,20,21)/p-2