[1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H27FN2O4 MolecularWeight: 402.459183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C22H27FN2O4/c1-13(19(27)24-18-5-3-17(23)4-6-18)29-20(28)21-8-15-7-16(9-21)11-22(10-15,12-21)25-14(2)26/h3-6,13,15-16H,7-12H2,1-2H3,(H,24,27)(H,25,26)