3-(4-fluoranylphenoxy)propyl 3-acetamidoadamantane-1-carboxylate

Systemtic Name: 3-(4-fluoranylphenoxy)propyl 3-acetamidoadamantane-1-carboxylate Openeye Name: 3-(4-fluorophenoxy)propyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid 3-(4-fluorophenoxy)propyl ester IUPAC Name: 3-(4-fluorophenoxy)propyl 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid 3-(4-fluorophenoxy)propyl ester Formula: C22H28FNO4 MolecularWeight: 389.460423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCCCOC4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCCCOC4=CC=C(C=C4)F

InChI

InChI=1S/C22H28FNO4/c1-15(25)24-22-12-16-9-17(13-22)11-21(10-16,14-22)20(26)28-8-2-7-27-19-5-3-18(23)4-6-19/h3-6,16-17H,2,7-14H2,1H3,(H,24,25)