[4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 3-fluoranyl-4-pentyl-benzoate

Systemtic Name: [4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 3-fluoranyl-4-pentyl-benzoate Openeye Name: [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] 3-fluoro-4-pentyl-benzoate CAS Name: 3-fluoro-4-pentylbenzoic acid [4-[4-(2-chloro-3-methyl-1-oxobutoxy)phenyl]phenyl] ester IUPAC Name: [4-[4-(2-chloro-3-methylbutanoyl)oxyphenyl]phenyl] 3-fluoro-4-pentylbenzoate Traditional Name: 4-amyl-3-fluoro-benzoic acid [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] ester Formula: C29H30ClFO4 MolecularWeight: 496.997503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)F

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)F

InChI

InChI=1S/C29H30ClFO4/c1-4-5-6-7-22-8-9-23(18-26(22)31)28(32)34-24-14-10-20(11-15-24)21-12-16-25(17-13-21)35-29(33)27(30)19(2)3/h8-19,27H,4-7H2,1-3H3