[2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl] tridecanoate

Systemtic Name: [2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl] tridecanoate Openeye Name: [2-(4-hydroxyphenyl)-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-6-yl] tridecanoate CAS Name: tridecanoic acid [2-(4-hydroxyphenyl)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-6-yl] ester IUPAC Name: [2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl] tridecanoate Traditional Name: tridecanoic acid [2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-6-yl] ester Formula: C41H51NO5S MolecularWeight: 669.91234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C41H51NO5S/c1-2-3-4-5-6-7-8-9-10-12-15-38(44)47-35-24-25-36-37(30-35)48-41(32-16-20-33(43)21-17-32)39(36)40(45)31-18-22-34(23-19-31)46-29-28-42-26-13-11-14-27-42/h16-25,30,43H,2-15,26-29H2,1H3