(4-fluorophenyl) 2-[3-(1-adamantyl)-3-oxidanylidene-propyl]-4-methyl-3-oxidanylidene-pentanoate

Systemtic Name: (4-fluorophenyl) 2-[3-(1-adamantyl)-3-oxidanylidene-propyl]-4-methyl-3-oxidanylidene-pentanoate Openeye Name: (4-fluorophenyl) 2-[3-(1-adamantyl)-3-oxo-propyl]-4-methyl-3-oxo-pentanoate CAS Name: 2-[3-(1-adamantyl)-3-oxopropyl]-4-methyl-3-oxopentanoic acid (4-fluorophenyl) ester IUPAC Name: (4-fluorophenyl) 2-[3-(1-adamantyl)-3-oxopropyl]-4-methyl-3-oxopentanoate Traditional Name: 2-[3-(1-adamantyl)-3-keto-propyl]-3-keto-4-methyl-valeric acid (4-fluorophenyl) ester Formula: C25H31FO4 MolecularWeight: 414.509643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(CCC(=O)C12CC3CC(C1)CC(C3)C2)C(=O)OC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)C(=O)C(CCC(=O)C12CC3CC(C1)CC(C3)C2)C(=O)OC4=CC=C(C=C4)F

InChI

InChI=1S/C25H31FO4/c1-15(2)23(28)21(24(29)30-20-5-3-19(26)4-6-20)7-8-22(27)25-12-16-9-17(13-25)11-18(10-16)14-25/h3-6,15-18,21H,7-14H2,1-2H3