(3-fluoranyl-4-methoxy-phenyl)methyl 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-(1-adamantylcarbonylamino)propanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C22H28FNO4 MolecularWeight: 389.460423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)F

InChI

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