2-[3-(4-fluorophenyl)-3-oxidanylidene-1-phenyl-propyl]-4-(2-methylbutan-2-yl)cyclohexan-1-one

Systemtic Name: 2-[3-(4-fluorophenyl)-3-oxidanylidene-1-phenyl-propyl]-4-(2-methylbutan-2-yl)cyclohexan-1-one Openeye Name: 4-(1,1-dimethylpropyl)-2-[3-(4-fluorophenyl)-3-oxo-1-phenyl-propyl]cyclohexanone CAS Name: 2-[3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]-4-(2-methylbutan-2-yl)-1-cyclohexanone IUPAC Name: 2-[3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]-4-(2-methylbutan-2-yl)cyclohexan-1-one Traditional Name: 4-tert-amyl-2-[3-(4-fluorophenyl)-3-keto-1-phenyl-propyl]cyclohexanone Formula: C26H31FO2 MolecularWeight: 394.521543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(=O)C(C1)C(CC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C1CCC(=O)C(C1)C(CC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C26H31FO2/c1-4-26(2,3)20-12-15-24(28)23(16-20)22(18-8-6-5-7-9-18)17-25(29)19-10-13-21(27)14-11-19/h5-11,13-14,20,22-23H,4,12,15-17H2,1-3H3