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

Systemtic Name: ethyl (E)-2-cyano-3-[2-[2-(3-methylbutoxy)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-(2-isopentyloxy-2-oxo-ethyl)-3-oxo-piperazin-1-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-[2-(3-methylbutoxy)-2-oxoethyl]-3-oxo-1-piperazinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-[2-(3-methylbutoxy)-2-oxoethyl]-3-oxopiperazin-1-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-(2-isoamoxy-2-keto-ethyl)-3-keto-piperazino]acrylic acid ethyl ester Formula: C17H25N3O5 MolecularWeight: 351.3975

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN1CCNC(=O)C1CC(=O)OCCC(C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/N1CCNC(=O)C1CC(=O)OCCC(C)C)/C#N

InChI

InChI=1S/C17H25N3O5/c1-4-24-17(23)13(10-18)11-20-7-6-19-16(22)14(20)9-15(21)25-8-5-12(2)3/h11-12,14H,4-9H2,1-3H3,(H,19,22)/b13-11+