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

Systemtic Name: ethyl (E)-2-cyano-3-[2-(2-decoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-(2-decoxy-2-oxo-ethyl)-3-oxo-piperazin-1-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-(2-decoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-(2-decoxy-2-oxoethyl)-3-oxopiperazin-1-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-(2-decoxy-2-keto-ethyl)-3-keto-piperazino]acrylic acid ethyl ester Formula: C22H35N3O5 MolecularWeight: 421.5304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O5/c1-3-5-6-7-8-9-10-11-14-30-20(26)15-19-21(27)24-12-13-25(19)17-18(16-23)22(28)29-4-2/h17,19H,3-15H2,1-2H3,(H,24,27)/b18-17+