methyl 5-[(3-chloranyl-1-adamantyl)carbonylamino]-2,4-bis(fluoranyl)benzoate

Systemtic Name: methyl 5-[(3-chloranyl-1-adamantyl)carbonylamino]-2,4-bis(fluoranyl)benzoate Openeye Name: methyl 5-[(3-chloroadamantane-1-carbonyl)amino]-2,4-difluoro-benzoate CAS Name: 5-[[(3-chloro-1-adamantyl)-oxomethyl]amino]-2,4-difluorobenzoic acid methyl ester IUPAC Name: methyl 5-[(3-chloroadamantane-1-carbonyl)amino]-2,4-difluorobenzoate Traditional Name: 5-[(3-chloroadamantane-1-carbonyl)amino]-2,4-difluoro-benzoic acid methyl ester Formula: C19H20ClF2NO3 MolecularWeight: 383.816806

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClF2NO3/c1-26-16(24)12-3-15(14(22)4-13(12)21)23-17(25)18-5-10-2-11(6-18)8-19(20,7-10)9-18/h3-4,10-11H,2,5-9H2,1H3,(H,23,25)