[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 2-(phenylcarbonyl)benzoate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 2-(phenylcarbonyl)benzoate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 2-benzoylbenzoate CAS Name: 2-benzoylbenzoic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 2-benzoylbenzoate Traditional Name: 2-benzoylbenzoic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=CC=CC=C4C(=O)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=CC=CC=C4C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H27NO4/c28-23(27-24-19-11-16-10-17(13-19)14-20(24)12-16)15-31-26(30)22-9-5-4-8-21(22)25(29)18-6-2-1-3-7-18/h1-9,16-17,19-20,24H,10-15H2,(H,27,28)