[1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H24FNO4 MolecularWeight: 361.407263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)OC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1F)OC(=O)C23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C20H24FNO4/c1-12(17(23)22-16-5-3-2-4-15(16)21)26-18(24)19-7-13-6-14(8-19)10-20(25,9-13)11-19/h2-5,12-14,25H,6-11H2,1H3,(H,22,23)