[4-(3-fluoranyl-4-octoxy-phenyl)phenyl] 3-pentylcyclobutane-1-carboxylate

Systemtic Name: [4-(3-fluoranyl-4-octoxy-phenyl)phenyl] 3-pentylcyclobutane-1-carboxylate Openeye Name: [4-(3-fluoro-4-octoxy-phenyl)phenyl] 3-pentylcyclobutanecarboxylate CAS Name: 3-pentyl-1-cyclobutanecarboxylic acid [4-(3-fluoro-4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(3-fluoro-4-octoxyphenyl)phenyl] 3-pentylcyclobutane-1-carboxylate Traditional Name: 3-amylcyclobutanecarboxylic acid [4-(3-fluoro-4-octoxy-phenyl)phenyl] ester Formula: C30H41FO3 MolecularWeight: 468.643143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CC(C3)CCCCC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CC(C3)CCCCC)F

InChI

InChI=1S/C30H41FO3/c1-3-5-7-8-9-11-19-33-29-18-15-25(22-28(29)31)24-13-16-27(17-14-24)34-30(32)26-20-23(21-26)12-10-6-4-2/h13-18,22-23,26H,3-12,19-21H2,1-2H3