(4-pentoxycarbonylphenyl) 4-[3-fluoranyl-4-(6-methyloctoxy)phenyl]benzoate

Systemtic Name: (4-pentoxycarbonylphenyl) 4-[3-fluoranyl-4-(6-methyloctoxy)phenyl]benzoate Openeye Name: (4-pentoxycarbonylphenyl) 4-[3-fluoro-4-(6-methyloctoxy)phenyl]benzoate CAS Name: 4-[3-fluoro-4-(6-methyloctoxy)phenyl]benzoic acid [4-[oxo(pentoxy)methyl]phenyl] ester IUPAC Name: (4-pentoxycarbonylphenyl) 4-[3-fluoro-4-(6-methyloctoxy)phenyl]benzoate Traditional Name: 4-[3-fluoro-4-(6-methyloctoxy)phenyl]benzoic acid (4-amoxycarbonylphenyl) ester Formula: C34H41FO5 MolecularWeight: 548.684743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCCC(C)CC)F

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCCC(C)CC)F

InChI

InChI=1S/C34H41FO5/c1-4-6-9-23-39-33(36)27-16-19-30(20-17-27)40-34(37)28-14-12-26(13-15-28)29-18-21-32(31(35)24-29)38-22-10-7-8-11-25(3)5-2/h12-21,24-25H,4-11,22-23H2,1-3H3