[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-fluoranylphenoxy)propanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-fluoranylphenoxy)propanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (2R)-2-(4-fluorophenoxy)propanoate CAS Name: (2R)-2-(4-fluorophenoxy)propanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (2R)-2-(4-fluorophenoxy)propanoate Traditional Name: (2R)-2-(4-fluorophenoxy)propionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H28FNO4 MolecularWeight: 389.460423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)F

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)F

InChI

InChI=1S/C22H28FNO4/c1-14(28-19-4-2-18(23)3-5-19)21(26)27-12-20(25)24-13-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,14-17H,6-13H2,1H3,(H,24,25)/t14-,15?,16?,17?,22?/m1/s1