[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3,5-bis(fluoranyl)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3,5-bis(fluoranyl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3,5-difluorobenzoate CAS Name: 3,5-difluorobenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3,5-difluorobenzoate Traditional Name: 3,5-difluorobenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C19H21F2NO3 MolecularWeight: 349.371746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=CC(=C4)F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=CC(=C4)F)F

InChI

InChI=1S/C19H21F2NO3/c20-15-4-14(5-16(21)6-15)18(24)25-10-17(23)22-19-7-11-1-12(8-19)3-13(2-11)9-19/h4-6,11-13H,1-3,7-10H2,(H,22,23)