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

Systemtic Name: ethyl (E)-2-cyano-3-[3-oxidanylidene-2-(2-oxidanylidene-2-phenethyloxy-ethyl)piperazin-1-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[3-oxo-2-(2-oxo-2-phenethyloxy-ethyl)piperazin-1-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-oxo-2-(2-oxo-2-phenethyloxyethyl)-1-piperazinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[3-oxo-2-(2-oxo-2-phenethyloxyethyl)piperazin-1-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-keto-2-(2-keto-2-phenethyloxy-ethyl)piperazino]acrylic acid ethyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN1CCNC(=O)C1CC(=O)OCCC2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/N1CCNC(=O)C1CC(=O)OCCC2=CC=CC=C2)/C#N

InChI

InChI=1S/C20H23N3O5/c1-2-27-20(26)16(13-21)14-23-10-9-22-19(25)17(23)12-18(24)28-11-8-15-6-4-3-5-7-15/h3-7,14,17H,2,8-12H2,1H3,(H,22,25)/b16-14+