[2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-[[2-(4-fluoroanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C22H27FN2O4 MolecularWeight: 402.459183

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C22H27FN2O4/c1-25(11-19(26)24-18-4-2-17(23)3-5-18)20(27)12-29-22(28)21-15-7-13-6-14(9-15)10-16(21)8-13/h2-5,13-16,21H,6-12H2,1H3,(H,24,26)