[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(4-phenylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(4-phenylphenyl)carbonylamino]ethanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-[(4-phenylbenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-phenylphenyl)methyl]amino]acetic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate Traditional Name: 2-[(4-phenylbenzoyl)amino]acetic 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)CNC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CNC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

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