[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H28FNO4 MolecularWeight: 401.471123

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H28FNO4/c24-19-3-1-18(2-4-19)20(26)5-6-22(28)29-13-21(27)25-14-23-10-15-7-16(11-23)9-17(8-15)12-23/h1-4,15-17H,5-14H2,(H,25,27)