N-[2-(1-carboxypiperidin-4-yl)oxypropanoyl]-4-(2-ethoxy-2-oxidanylidene-ethoxy)-N-ethyl-benzeneamine oxide

Systemtic Name: N-[2-(1-carboxypiperidin-4-yl)oxypropanoyl]-4-(2-ethoxy-2-oxidanylidene-ethoxy)-N-ethyl-benzeneamine oxide Openeye Name: N-[2-[(1-carboxy-4-piperidyl)oxy]propanoyl]-4-(2-ethoxy-2-oxo-ethoxy)-N-ethyl-benzeneamine oxide CAS Name: N-[2-[(1-carboxy-4-piperidinyl)oxy]-1-oxopropyl]-4-(2-ethoxy-2-oxoethoxy)-N-ethylbenzeneamine oxide IUPAC Name: N-[2-(1-carboxypiperidin-4-yl)oxypropanoyl]-4-(2-ethoxy-2-oxoethoxy)-N-ethylbenzeneamine oxide Traditional Name: N-[2-[(1-carboxy-4-piperidyl)oxy]propanoyl]-4-(2-ethoxy-2-keto-ethoxy)-N-ethyl-benzeneamine oxide Formula: C21H30N2O8 MolecularWeight: 438.4715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C1=CC=C(C=C1)OCC(=O)OCC)(C(=O)C(C)OC2CCN(CC2)C(=O)O)[O-]

Isomeric SMILES

CC[N+](C1=CC=C(C=C1)OCC(=O)OCC)(C(=O)C(C)OC2CCN(CC2)C(=O)O)[O-]

InChI

InChI=1S/C21H30N2O8/c1-4-23(28,16-6-8-17(9-7-16)30-14-19(24)29-5-2)20(25)15(3)31-18-10-12-22(13-11-18)21(26)27/h6-9,15,18H,4-5,10-14H2,1-3H3,(H,26,27)