4-(4-decoxyphenyl)-2-fluoranyl-1-[2-(2-methyl-4-propan-2-yloxy-butanoyl)phenyl]cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 4-(4-decoxyphenyl)-2-fluoranyl-1-[2-(2-methyl-4-propan-2-yloxy-butanoyl)phenyl]cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-(4-decoxyphenyl)-2-fluoro-1-[2-(4-isopropoxy-2-methyl-butanoyl)phenyl]cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-(4-decoxyphenyl)-2-fluoro-1-[2-(2-methyl-1-oxo-4-propan-2-yloxybutyl)phenyl]-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-(4-decoxyphenyl)-2-fluoro-1-[2-(2-methyl-4-propan-2-yloxybutanoyl)phenyl]cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-(4-decoxyphenyl)-2-fluoro-1-[2-(4-isopropoxy-2-methyl-butanoyl)phenyl]cyclohexa-2,5-diene-1-carboxylate Formula: C37H48FO5- MolecularWeight: 591.772423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2C=CC(C(=C2)F)(C3=CC=CC=C3C(=O)C(C)CCOC(C)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2C=CC(C(=C2)F)(C3=CC=CC=C3C(=O)C(C)CCOC(C)C)C(=O)[O-]

InChI

InChI=1S/C37H49FO5/c1-5-6-7-8-9-10-11-14-24-43-31-19-17-29(18-20-31)30-21-23-37(36(40)41,34(38)26-30)33-16-13-12-15-32(33)35(39)28(4)22-25-42-27(2)3/h12-13,15-21,23,26-28,30H,5-11,14,22,24-25H2,1-4H3,(H,40,41)/p-1