2-fluoranyl-1-[2-(4-methylpentan-2-yloxycarbonyl)phenyl]-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 2-fluoranyl-1-[2-(4-methylpentan-2-yloxycarbonyl)phenyl]-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: 1-[2-(1,3-dimethylbutoxycarbonyl)phenyl]-2-fluoro-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 2-fluoro-1-[2-[4-methylpentan-2-yloxy(oxo)methyl]phenyl]-4-(4-nonoxyphenyl)-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 2-fluoro-1-[2-(4-methylpentan-2-yloxycarbonyl)phenyl]-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-[2-(1,3-dimethylbutoxycarbonyl)phenyl]-2-fluoro-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylate Formula: C35H44FO5- MolecularWeight: 563.719263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2C=CC(C(=C2)F)(C3=CC=CC=C3C(=O)OC(C)CC(C)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2C=CC(C(=C2)F)(C3=CC=CC=C3C(=O)OC(C)CC(C)C)C(=O)[O-]

InChI

InChI=1S/C35H45FO5/c1-5-6-7-8-9-10-13-22-40-29-18-16-27(17-19-29)28-20-21-35(34(38)39,32(36)24-28)31-15-12-11-14-30(31)33(37)41-26(4)23-25(2)3/h11-12,14-21,24-26,28H,5-10,13,22-23H2,1-4H3,(H,38,39)/p-1