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

Systemtic Name: [2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-(2-ethyl-1-piperidyl)-2-oxo-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-(2-ethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (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-(2-ethylpiperidino)-2-keto-ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CCC1CCCCN1C(=O)COC(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C#N

InChI

InChI=1S/C20H22N2O5/c1-2-16-5-3-4-8-22(16)19(23)12-25-20(24)15(11-21)9-14-6-7-17-18(10-14)27-13-26-17/h6-7,9-10,16H,2-5,8,12-13H2,1H3/b15-9+