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

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

Isomeric SMILES

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

InChI

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