[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C19H21ClFNO3 MolecularWeight: 365.826343

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=C(C=CC=C4Cl)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C19H21ClFNO3/c20-14-2-1-3-15(21)17(14)19(24)25-9-16(23)22-18-12-5-10-4-11(7-12)8-13(18)6-10/h1-3,10-13,18H,4-9H2,(H,22,23)