[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C24H29FN2O4 MolecularWeight: 428.496463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OC(C4=CC=C(C=C4)F)C(=O)NC5CC5

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OC(C4=CC=C(C=C4)F)C(=O)NC5CC5

InChI

InChI=1S/C24H29FN2O4/c1-14(28)27-24-11-15-8-16(12-24)10-23(9-15,13-24)22(30)31-20(21(29)26-19-6-7-19)17-2-4-18(25)5-3-17/h2-5,15-16,19-20H,6-13H2,1H3,(H,26,29)(H,27,28)