(E)-3-[5-cyclohexyl-3-[(4-fluorophenyl)methyl]furan-2-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-3-[5-cyclohexyl-3-[(4-fluorophenyl)methyl]furan-2-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-3-[5-cyclohexyl-3-[(4-fluorophenyl)methyl]-2-furyl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-3-[5-cyclohexyl-3-[(4-fluorophenyl)methyl]-2-furanyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-3-[5-cyclohexyl-3-[(4-fluorophenyl)methyl]furan-2-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-3-[5-cyclohexyl-3-(4-fluorobenzyl)-2-furyl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C21H21FO5 MolecularWeight: 372.386843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC(=C(O2)C(=CO)C(=O)C(=O)O)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(CC1)C2=CC(=C(O2)/C(=C\O)/C(=O)C(=O)O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FO5/c22-16-8-6-13(7-9-16)10-15-11-18(14-4-2-1-3-5-14)27-20(15)17(12-23)19(24)21(25)26/h6-9,11-12,14,23H,1-5,10H2,(H,25,26)/b17-12-