(1-oxidanylidene-1-phenyl-propan-2-yl) 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C23H30N2O4 MolecularWeight: 398.4953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

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