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

Systemtic Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N2O6/c1-14(22(28)26-18-2-3-19-20(9-18)31-5-4-30-19)32-21(27)13-25-23(29)24-10-15-6-16(11-24)8-17(7-15)12-24/h2-3,9,14-17H,4-8,10-13H2,1H3,(H,25,29)(H,26,28)/t14-,15?,16?,17?,24?/m1/s1