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

Systemtic Name: [1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H23ClFNO3 MolecularWeight: 379.852923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClFNO3/c1-12(17(24)23-16-5-3-2-4-15(16)22)26-18(25)19-7-13-6-14(8-19)10-20(21,9-13)11-19/h2-5,12-14H,6-11H2,1H3,(H,23,24)