methyl 1-[2-[2-(4-fluorophenyl)-2-adamantyl]ethanoyl]aziridine-2-carboxylate

Systemtic Name: methyl 1-[2-[2-(4-fluorophenyl)-2-adamantyl]ethanoyl]aziridine-2-carboxylate Openeye Name: methyl 1-[2-[2-(4-fluorophenyl)-2-adamantyl]acetyl]aziridine-2-carboxylate CAS Name: 1-[2-[2-(4-fluorophenyl)-2-adamantyl]-1-oxoethyl]-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-(4-fluorophenyl)-2-adamantyl]acetyl]aziridine-2-carboxylate Traditional Name: 1-[2-[2-(4-fluorophenyl)-2-adamantyl]acetyl]ethylenimine-2-carboxylic acid methyl ester Formula: C22H26FNO3 MolecularWeight: 371.445143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN1C(=O)CC2(C3CC4CC(C3)CC2C4)C5=CC=C(C=C5)F

Isomeric SMILES

COC(=O)C1CN1C(=O)CC2(C3CC4CC(C3)CC2C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H26FNO3/c1-27-21(26)19-12-24(19)20(25)11-22(15-2-4-18(23)5-3-15)16-7-13-6-14(9-16)10-17(22)8-13/h2-5,13-14,16-17,19H,6-12H2,1H3