[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-phenylmethoxybenzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-phenylmethoxybenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-benzyloxybenzoate CAS Name: 2-phenylmethoxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-phenylmethoxybenzoate Traditional Name: 2-benzoxybenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C26H29NO4/c28-24(27-26-13-19-10-20(14-26)12-21(11-19)15-26)17-31-25(29)22-8-4-5-9-23(22)30-16-18-6-2-1-3-7-18/h1-9,19-21H,10-17H2,(H,27,28)