[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(phenoxymethyl)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(phenoxymethyl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(phenoxymethyl)benzoate CAS Name: 2-(phenoxymethyl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(phenoxymethyl)benzoate Traditional Name: 2-(phenoxymethyl)benzoic 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=C4COC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=CC=C4COC5=CC=CC=C5

InChI

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