(2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) (E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid (2-keto-2-piperidino-ethyl) ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C#N

InChI

InChI=1S/C18H18N2O5/c19-10-14(8-13-4-5-15-16(9-13)25-12-24-15)18(22)23-11-17(21)20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7,11-12H2/b14-8+