[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(2-phenylethanoylamino)benzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(2-phenylethanoylamino)benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-[(2-phenylacetyl)amino]benzoate CAS Name: 2-[(1-oxo-2-phenylethyl)amino]benzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate Traditional Name: 2-[(2-phenylacetyl)amino]benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C4=CC=CC=C4NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C4=CC=CC=C4NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N3O5/c32-24(13-18-6-2-1-3-7-18)29-23-9-5-4-8-22(23)26(34)36-17-25(33)30-27(35)31-28-14-19-10-20(15-28)12-21(11-19)16-28/h1-9,19-21H,10-17H2,(H,29,32)(H2,30,31,33,35)