[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-phenoxybenzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-phenoxybenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-phenoxybenzoate CAS Name: 4-phenoxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-phenoxybenzoate Traditional Name: 4-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=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

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

InChI

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