[(1-adamantylmethylamino)-(phenylcarbonyloxy)phosphoryl] benzoate

Systemtic Name: [(1-adamantylmethylamino)-(phenylcarbonyloxy)phosphoryl] benzoate Openeye Name: [(1-adamantylmethylamino)-benzoyloxy-phosphoryl] benzoate CAS Name: benzoic acid [(1-adamantylmethylamino)-benzoyloxyphosphoryl] ester IUPAC Name: [(1-adamantylmethylamino)-benzoyloxyphosphoryl] benzoate Traditional Name: benzoic acid [(1-adamantylmethylamino)-benzoyloxy-phosphoryl] ester Formula: C25H28NO5P MolecularWeight: 453.467281

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNP(=O)(OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNP(=O)(OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H28NO5P/c27-23(21-7-3-1-4-8-21)30-32(29,31-24(28)22-9-5-2-6-10-22)26-17-25-14-18-11-19(15-25)13-20(12-18)16-25/h1-10,18-20H,11-17H2,(H,26,29)