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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)propanoate CAS Name: 3-(4-fluorophenyl)propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate Traditional Name: 3-(4-fluorophenyl)propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H26FNO3 MolecularWeight: 359.434443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FNO3/c22-18-4-1-14(2-5-18)3-6-20(25)26-13-19(24)23-21-10-15-7-16(11-21)9-17(8-15)12-21/h1-2,4-5,15-17H,3,6-13H2,(H,23,24)