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

Systemtic Name: methyl 5-[(3-chloranyl-1-adamantyl)carbonylamino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[(3-chloroadamantane-1-carbonyl)amino]-2-fluoro-benzoate CAS Name: 5-[[(3-chloro-1-adamantyl)-oxomethyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[(3-chloroadamantane-1-carbonyl)amino]-2-fluorobenzoate Traditional Name: 5-[(3-chloroadamantane-1-carbonyl)amino]-2-fluoro-benzoic acid methyl ester Formula: C19H21ClFNO3 MolecularWeight: 365.826343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFNO3/c1-25-16(23)14-5-13(2-3-15(14)21)22-17(24)18-6-11-4-12(7-18)9-19(20,8-11)10-18/h2-3,5,11-12H,4,6-10H2,1H3,(H,22,24)