[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CNC(=O)C1=CC2=C(C=C1)OCO2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CNC(=O)C1=CC2=C(C=C1)OCO2)C3(CCCCC3)C#N

InChI

InChI=1S/C20H23N3O6/c1-23(20(12-21)7-3-2-4-8-20)17(24)11-27-18(25)10-22-19(26)14-5-6-15-16(9-14)29-13-28-15/h5-6,9H,2-4,7-8,10-11,13H2,1H3,(H,22,26)