[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-phenylmethoxybenzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-phenylmethoxybenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-benzyloxybenzoate CAS Name: 3-phenylmethoxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-phenylmethoxybenzoate Traditional Name: 3-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=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

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