[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(3-fluoranyl-4-methoxy-phenyl)ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(3-fluoranyl-4-methoxy-phenyl)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(3-fluoro-4-methoxy-phenyl)acetate CAS Name: 2-(3-fluoro-4-methoxyphenyl)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate Traditional Name: 2-(3-fluoro-4-methoxy-phenyl)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H28FNO4 MolecularWeight: 389.460423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C22H28FNO4/c1-13(28-20(25)9-14-3-4-19(27-2)18(23)8-14)21(26)24-22-10-15-5-16(11-22)7-17(6-15)12-22/h3-4,8,13,15-17H,5-7,9-12H2,1-2H3,(H,24,26)/t13-,15?,16?,17?,22?/m1/s1