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

Systemtic Name: methyl (E)-2-cyano-3-[2-(2-dodecoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[2-(2-dodecoxy-2-oxo-ethyl)-3-oxo-piperazin-1-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-(2-dodecoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[2-(2-dodecoxy-2-oxoethyl)-3-oxopiperazin-1-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-keto-2-(2-keto-2-lauryloxy-ethyl)piperazino]acrylic acid methyl ester Formula: C23H37N3O5 MolecularWeight: 435.55698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C=C(C#N)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C23H37N3O5/c1-3-4-5-6-7-8-9-10-11-12-15-31-21(27)16-20-22(28)25-13-14-26(20)18-19(17-24)23(29)30-2/h18,20H,3-16H2,1-2H3,(H,25,28)/b19-18+