[2-(2-methylbutoxycarbonyl)phenyl] 4-(3-chloranyl-4-octoxy-phenyl)-2-fluoranyl-benzoate

Systemtic Name: [2-(2-methylbutoxycarbonyl)phenyl] 4-(3-chloranyl-4-octoxy-phenyl)-2-fluoranyl-benzoate Openeye Name: [2-(2-methylbutoxycarbonyl)phenyl] 4-(3-chloro-4-octoxy-phenyl)-2-fluoro-benzoate CAS Name: 4-(3-chloro-4-octoxyphenyl)-2-fluorobenzoic acid [2-[2-methylbutoxy(oxo)methyl]phenyl] ester IUPAC Name: [2-(2-methylbutoxycarbonyl)phenyl] 4-(3-chloro-4-octoxyphenyl)-2-fluorobenzoate Traditional Name: 4-(3-chloro-4-octoxy-phenyl)-2-fluoro-benzoic acid [2-(2-methylbutoxycarbonyl)phenyl] ester Formula: C33H38ClFO5 MolecularWeight: 569.103223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=CC=C3C(=O)OCC(C)CC)F)Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=CC=C3C(=O)OCC(C)CC)F)Cl

InChI

InChI=1S/C33H38ClFO5/c1-4-6-7-8-9-12-19-38-31-18-16-24(20-28(31)34)25-15-17-26(29(35)21-25)33(37)40-30-14-11-10-13-27(30)32(36)39-22-23(3)5-2/h10-11,13-18,20-21,23H,4-9,12,19,22H2,1-3H3