[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)propanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)propanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)propanoate CAS Name: 3-(4-fluorophenyl)propanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate Traditional Name: 3-(4-fluorophenyl)propionic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H28FNO3 MolecularWeight: 373.461023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCC4=CC=C(C=C4)F

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H28FNO3/c1-14(27-20(25)7-4-15-2-5-19(23)6-3-15)21(26)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h2-3,5-6,14,16-18H,4,7-13H2,1H3,(H,24,26)/t14-,16?,17?,18?,22?/m1/s1