methyl 5-(1-adamantylcarbonylamino)-2-fluoranyl-benzoate

Systemtic Name: methyl 5-(1-adamantylcarbonylamino)-2-fluoranyl-benzoate Openeye Name: methyl 5-(adamantane-1-carbonylamino)-2-fluoro-benzoate CAS Name: 5-[[1-adamantyl(oxo)methyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-(adamantane-1-carbonylamino)-2-fluorobenzoate Traditional Name: 5-(adamantane-1-carbonylamino)-2-fluoro-benzoic acid methyl ester Formula: C19H22FNO3 MolecularWeight: 331.381283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FNO3/c1-24-17(22)15-7-14(2-3-16(15)20)21-18(23)19-8-11-4-12(9-19)6-13(5-11)10-19/h2-3,7,11-13H,4-6,8-10H2,1H3,(H,21,23)