ethyl (E)-2-cyano-3-[3-oxidanylidene-2-(2-oxidanylidene-2-pentoxy-ethyl)piperazin-1-yl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[3-oxidanylidene-2-(2-oxidanylidene-2-pentoxy-ethyl)piperazin-1-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[3-oxo-2-(2-oxo-2-pentoxy-ethyl)piperazin-1-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-oxo-2-(2-oxo-2-pentoxyethyl)-1-piperazinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[3-oxo-2-(2-oxo-2-pentoxyethyl)piperazin-1-yl]prop-2-enoate Traditional Name: (E)-3-[2-(2-amoxy-2-keto-ethyl)-3-keto-piperazino]-2-cyano-acrylic acid ethyl ester Formula: C17H25N3O5 MolecularWeight: 351.3975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C=C(C#N)C(=O)OCC

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1/C=C(\C#N)/C(=O)OCC

InChI

InChI=1S/C17H25N3O5/c1-3-5-6-9-25-15(21)10-14-16(22)19-7-8-20(14)12-13(11-18)17(23)24-4-2/h12,14H,3-10H2,1-2H3,(H,19,22)/b13-12+