(3-fluoranyl-4-methoxy-phenyl)methyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C22H28FNO4 MolecularWeight: 389.460423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3)F

InChI

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