[4-[4-[(2R)-octan-2-yl]oxycarbonylphenyl]phenyl] 4-decoxy-2-fluoranyl-benzoate

Systemtic Name: [4-[4-[(2R)-octan-2-yl]oxycarbonylphenyl]phenyl] 4-decoxy-2-fluoranyl-benzoate Openeye Name: [4-[4-[(1R)-1-methylheptoxy]carbonylphenyl]phenyl] 4-decoxy-2-fluoro-benzoate CAS Name: 4-decoxy-2-fluorobenzoic acid [4-[4-[[(2R)-octan-2-yl]oxy-oxomethyl]phenyl]phenyl] ester IUPAC Name: [4-[4-[(2R)-octan-2-yl]oxycarbonylphenyl]phenyl] 4-decoxy-2-fluorobenzoate Traditional Name: 4-decoxy-2-fluoro-benzoic acid [4-[4-[(1R)-1-methylheptoxy]carbonylphenyl]phenyl] ester Formula: C38H49FO5 MolecularWeight: 604.791063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(C)CCCCCC)F

Isomeric SMILES

CCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O[C@H](C)CCCCCC)F

InChI

InChI=1S/C38H49FO5/c1-4-6-8-10-11-12-13-15-27-42-34-25-26-35(36(39)28-34)38(41)44-33-23-21-31(22-24-33)30-17-19-32(20-18-30)37(40)43-29(3)16-14-9-7-5-2/h17-26,28-29H,4-16,27H2,1-3H3/t29-/m1/s1