methyl 5-(1-adamantylcarbonylamino)-2,4-bis(fluoranyl)benzoate

Systemtic Name: methyl 5-(1-adamantylcarbonylamino)-2,4-bis(fluoranyl)benzoate Openeye Name: methyl 5-(adamantane-1-carbonylamino)-2,4-difluoro-benzoate CAS Name: 5-[[1-adamantyl(oxo)methyl]amino]-2,4-difluorobenzoic acid methyl ester IUPAC Name: methyl 5-(adamantane-1-carbonylamino)-2,4-difluorobenzoate Traditional Name: 5-(adamantane-1-carbonylamino)-2,4-difluoro-benzoic acid methyl ester Formula: C19H21F2NO3 MolecularWeight: 349.371746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H21F2NO3/c1-25-17(23)13-5-16(15(21)6-14(13)20)22-18(24)19-7-10-2-11(8-19)4-12(3-10)9-19/h5-6,10-12H,2-4,7-9H2,1H3,(H,22,24)