[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(2-chloranyl-6-fluoranyl-phenyl)ethanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(2-chloranyl-6-fluoranyl-phenyl)ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(2-chloro-6-fluoro-phenyl)acetate CAS Name: 2-(2-chloro-6-fluorophenyl)acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate Traditional Name: 2-(2-chloro-6-fluoro-phenyl)acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H25ClFNO3 MolecularWeight: 393.879503

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H25ClFNO3/c22-17-2-1-3-18(23)16(17)7-20(26)27-11-19(25)24-12-21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,13-15H,4-12H2,(H,24,25)