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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(phenylmethyl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-benzylbenzoate CAS Name: 2-(phenylmethyl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-benzylbenzoate Traditional Name: 2-benzylbenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=CC=C4CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=CC=C4CC5=CC=CC=C5

InChI

InChI=1S/C26H29NO3/c28-24(27-26-14-19-10-20(15-26)12-21(11-19)16-26)17-30-25(29)23-9-5-4-8-22(23)13-18-6-2-1-3-7-18/h1-9,19-21H,10-17H2,(H,27,28)