methyl 5-[2-(3-bromanyl-1-adamantyl)ethanoylamino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[2-(3-bromanyl-1-adamantyl)ethanoylamino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[[2-(3-bromo-1-adamantyl)acetyl]amino]-2-fluoro-benzoate CAS Name: 5-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-(3-bromo-1-adamantyl)acetyl]amino]-2-fluorobenzoate Traditional Name: 5-[[2-(3-bromo-1-adamantyl)acetyl]amino]-2-fluoro-benzoic acid methyl ester Formula: C20H23BrFNO3 MolecularWeight: 424.303923

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)F

InChI

InChI=1S/C20H23BrFNO3/c1-26-18(25)15-5-14(2-3-16(15)22)23-17(24)10-19-6-12-4-13(7-19)9-20(21,8-12)11-19/h2-3,5,12-13H,4,6-11H2,1H3,(H,23,24)