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

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-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 [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC5=C(C(=C4)OC)OCCO5

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC5=C(C(=C4)OC)OCCO5

InChI

InChI=1S/C23H29NO6/c1-13(21(25)24-23-10-14-5-15(11-23)7-16(6-14)12-23)30-22(26)17-8-18(27-2)20-19(9-17)28-3-4-29-20/h8-9,13-16H,3-7,10-12H2,1-2H3,(H,24,25)/t13-,14?,15?,16?,23?/m1/s1