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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-phenoxybenzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-phenoxybenzoate CAS Name: 3-phenoxybenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-phenoxybenzoate Traditional Name: 3-phenoxybenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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