[3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-2-[4-[2,3,4-tris(fluoranyl)butanoyloxy]phenyl]-1-benzothiophen-6-yl] 4-methoxybenzoate

Systemtic Name: [3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-2-[4-[2,3,4-tris(fluoranyl)butanoyloxy]phenyl]-1-benzothiophen-6-yl] 4-methoxybenzoate Openeye Name: [3-[4-[2-(1-piperidyl)ethoxy]benzoyl]-2-[4-(2,3,4-trifluorobutanoyloxy)phenyl]benzothiophen-6-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-2-[4-(2,3,4-trifluoro-1-oxobutoxy)phenyl]-1-benzothiophen-6-yl] ester IUPAC Name: [3-[4-(2-piperidin-1-ylethoxy)benzoyl]-2-[4-(2,3,4-trifluorobutanoyloxy)phenyl]-1-benzothiophen-6-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-[4-(2-piperidinoethoxy)benzoyl]-2-[4-(2,3,4-trifluorobutanoyloxy)phenyl]benzothiophen-6-yl] ester Formula: C40H36F3NO7S MolecularWeight: 731.77655

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=C(S3)C4=CC=C(C=C4)OC(=O)C(C(CF)F)F)C(=O)C5=CC=C(C=C5)OCCN6CCCCC6

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=C(S3)C4=CC=C(C=C4)OC(=O)C(C(CF)F)F)C(=O)C5=CC=C(C=C5)OCCN6CCCCC6

InChI

InChI=1S/C40H36F3NO7S/c1-48-28-11-9-27(10-12-28)39(46)51-31-17-18-32-34(23-31)52-38(26-7-15-30(16-8-26)50-40(47)36(43)33(42)24-41)35(32)37(45)25-5-13-29(14-6-25)49-22-21-44-19-3-2-4-20-44/h5-18,23,33,36H,2-4,19-22,24H2,1H3