[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCN4C(=O)COC5=CC=CC=C54

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCN4C(=O)COC5=CC=CC=C54

InChI

InChI=1S/C24H30N2O5/c1-15(23(29)25-24-11-16-8-17(12-24)10-18(9-16)13-24)31-22(28)6-7-26-19-4-2-3-5-20(19)30-14-21(26)27/h2-5,15-18H,6-14H2,1H3,(H,25,29)/t15-,16?,17?,18?,24?/m1/s1