[2-oxidanylidene-2-[(2-phenoxyphenyl)amino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenoxyphenyl)amino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-oxo-2-(2-phenoxyanilino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-(2-phenoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyanilino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-(2-phenoxyanilino)ethyl] ester Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NC4=CC=CC=C4OC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NC4=CC=CC=C4OC5=CC=CC=C5

InChI

InChI=1S/C28H33N3O5/c32-25(30-23-8-4-5-9-24(23)36-22-6-2-1-3-7-22)18-35-26(33)10-11-29-27(34)31-28-15-19-12-20(16-28)14-21(13-19)17-28/h1-9,19-21H,10-18H2,(H,30,32)(H2,29,31,34)