3-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]propanenitrile

Systemtic Name: 3-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]propanenitrile Openeye Name: 3-[[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methoxy]propanenitrile CAS Name: 3-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methoxy]propanenitrile IUPAC Name: 3-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]propanenitrile Traditional Name: 3-[[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-(2-piperidinoethoxy)phenyl]methoxy]propionitrile Formula: C31H32N2O4S MolecularWeight: 528.66178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C(C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O)OCCC#N

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C(C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O)OCCC#N

InChI

InChI=1S/C31H32N2O4S/c32-15-4-19-37-30(22-7-12-26(13-8-22)36-20-18-33-16-2-1-3-17-33)29-27-14-11-25(35)21-28(27)38-31(29)23-5-9-24(34)10-6-23/h5-14,21,30,34-35H,1-4,16-20H2