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

Systemtic Name: methyl (E)-2-cyano-3-[3-oxidanylidene-2-[2-oxidanylidene-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]prop-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-27-20(26)16(13-21)14-23-10-9-22-19(25)17(23)12-18(24)28-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,14,17H,5,8-12H2,1H3,(H,22,25)/b16-14+