[1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(2,5-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [1-(2,5-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-(2,5-difluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H26F2N2O4 MolecularWeight: 420.449646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26F2N2O4/c1-12(19(28)25-18-6-16(23)3-4-17(18)24)30-20(29)21-7-14-5-15(8-21)10-22(9-14,11-21)26-13(2)27/h3-4,6,12,14-15H,5,7-11H2,1-2H3,(H,25,28)(H,26,27)