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

Systemtic Name: ethyl (E)-2-cyano-3-[3-oxidanylidene-2-[2-oxidanylidene-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]-1-piperazinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-keto-2-[2-keto-2-(3-phenylpropoxy)ethyl]piperazino]acrylic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN1CCNC(=O)C1CC(=O)OCCCC2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/N1CCNC(=O)C1CC(=O)OCCCC2=CC=CC=C2)/C#N

InChI

InChI=1S/C21H25N3O5/c1-2-28-21(27)17(14-22)15-24-11-10-23-20(26)18(24)13-19(25)29-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,15,18H,2,6,9-13H2,1H3,(H,23,26)/b17-15+