[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CC(=O)OCC(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

InChI

InChI=1S/C23H30N2O4/c1-15(19-5-3-2-4-6-19)7-21(27)29-14-20(26)24-22(28)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h2-6,15-18H,7-14H2,1H3,(H2,24,25,26,28)/t15-,16?,17?,18?,23?/m1/s1