[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(4-fluoranylphenoxy)-2-methyl-propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)F

InChI

InChI=1S/C22H28FNO4/c1-21(2,28-18-5-3-17(23)4-6-18)20(26)27-13-19(25)24-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,7-13H2,1-2H3,(H,24,25)