(4-bromanyl-2-fluoranyl-phenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (4-bromo-2-fluoro-benzyl) ester Formula: C20H23BrFNO3 MolecularWeight: 424.303923

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C20H23BrFNO3/c21-16-2-1-15(17(22)6-16)11-26-18(24)10-23-19(25)20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,12-14H,3-5,7-11H2,(H,23,25)