[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H29NO5/c1-14(22(26)24-23-11-16-6-17(12-23)8-18(7-16)13-23)29-21(25)10-15-2-3-19-20(9-15)28-5-4-27-19/h2-3,9,14,16-18H,4-8,10-13H2,1H3,(H,24,26)/t14-,16?,17?,18?,23?/m1/s1