[4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] 5-butylundecanoate

Systemtic Name: [4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] 5-butylundecanoate Openeye Name: [4-[6-hydroxy-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] 5-butylundecanoate CAS Name: 5-butylundecanoic acid [4-[6-hydroxy-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] 5-butylundecanoate Traditional Name: 5-butylundecanoic acid [4-[6-hydroxy-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C43H55NO5S MolecularWeight: 697.9655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)CCCC(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCCCCC(CCCC)CCCC(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C43H55NO5S/c1-3-5-7-9-14-32(13-6-4-2)15-12-16-40(46)49-37-24-19-34(20-25-37)43-41(38-26-21-35(45)31-39(38)50-43)42(47)33-17-22-36(23-18-33)48-30-29-44-27-10-8-11-28-44/h17-26,31-32,45H,3-16,27-30H2,1-2H3