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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(1-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-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-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-(1-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)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27NO6/c1-26-17-7-16(8-18-20(17)28-3-2-27-18)21(25)29-12-19(24)23-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-15H,2-6,9-12H2,1H3,(H,23,24)