[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 2-chloranyl-4-fluoranyl-benzoate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 2-chloranyl-4-fluoranyl-benzoate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 2-chloro-4-fluoro-benzoate CAS Name: 2-chloro-4-fluorobenzoic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate Traditional Name: 2-chloro-4-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=C(C=C4)F)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=C(C=C(C=C4)F)Cl

InChI

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