[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1COC2=CC=CC=C2O1)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)[C@H]1COC2=CC=CC=C2O1)C3(CCCCC3)C#N

InChI

InChI=1S/C19H22N2O5/c1-21(19(13-20)9-5-2-6-10-19)17(22)12-25-18(23)16-11-24-14-7-3-4-8-15(14)26-16/h3-4,7-8,16H,2,5-6,9-12H2,1H3/t16-/m1/s1