[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(phenylcarbonyl)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(phenylcarbonyl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-benzoylbenzoate CAS Name: 4-benzoylbenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-benzoylbenzoate Traditional Name: 4-benzoylbenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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