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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-phenoxybenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-phenoxybenzoate CAS Name: 3-phenoxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-phenoxybenzoate Traditional Name: 3-phenoxybenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H27NO4/c27-23(26-25-13-17-9-18(14-25)11-19(10-17)15-25)16-29-24(28)20-5-4-8-22(12-20)30-21-6-2-1-3-7-21/h1-8,12,17-19H,9-11,13-16H2,(H,26,27)