(4-cyano-2-fluoranyl-phenyl)methyl 4-(1-adamantylcarbonylamino)butanoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 4-(1-adamantylcarbonylamino)butanoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 4-(adamantane-1-carbonylamino)butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]butanoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 4-(adamantane-1-carbonylamino)butanoate Traditional Name: 4-(adamantane-1-carbonylamino)butyric acid (4-cyano-2-fluoro-benzyl) ester Formula: C23H27FN2O3 MolecularWeight: 398.470483

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)OCC4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)OCC4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C23H27FN2O3/c24-20-9-15(13-25)3-4-19(20)14-29-21(27)2-1-5-26-22(28)23-10-16-6-17(11-23)8-18(7-16)12-23/h3-4,9,16-18H,1-2,5-8,10-12,14H2,(H,26,28)