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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C22H29FN2O4 MolecularWeight: 404.475063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)F

InChI

InChI=1S/C22H29FN2O4/c1-28-19-3-2-14(9-18(19)23)13-29-20(26)4-5-24-21(27)25-22-10-15-6-16(11-22)8-17(7-15)12-22/h2-3,9,15-17H,4-8,10-13H2,1H3,(H2,24,25,27)