[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)OCC(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)OCC(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H27NO6/c1-26-17-9-16(10-18-21(17)28-3-2-27-18)22(25)29-11-19(24)23-20-14-5-12-4-13(7-14)8-15(20)6-12/h9-10,12-15,20H,2-8,11H2,1H3,(H,23,24)