[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H23NO5/c20-17(19-10-13-6-2-1-3-7-13)12-23-18(21)16-11-22-14-8-4-5-9-15(14)24-16/h4-5,8-9,13,16H,1-3,6-7,10-12H2,(H,19,20)