[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)propanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)propanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)propanoate CAS Name: 3-(4-fluorophenyl)propanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate Traditional Name: 3-(4-fluorophenyl)propionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H28FNO3 MolecularWeight: 373.461023

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CCC4=CC=C(C=C4)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H28FNO3/c23-19-4-1-15(2-5-19)3-6-21(26)27-13-20(25)24-14-22-10-16-7-17(11-22)9-18(8-16)12-22/h1-2,4-5,16-18H,3,6-14H2,(H,24,25)