3-[[3-oxidanyl-4-(2-pyrrolidin-1-ylcyclohexyl)oxy-phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol

Systemtic Name: 3-[[3-oxidanyl-4-(2-pyrrolidin-1-ylcyclohexyl)oxy-phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol Openeye Name: 3-[[3-hydroxy-4-(2-pyrrolidin-1-ylcyclohexoxy)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-6-ol CAS Name: 3-[[3-hydroxy-4-[2-(1-pyrrolidinyl)cyclohexyl]oxyphenyl]methyl]-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-6-ol IUPAC Name: 3-[[3-hydroxy-4-(2-pyrrolidin-1-ylcyclohexyl)oxyphenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol Traditional Name: 3-[3-hydroxy-4-(2-pyrrolidinocyclohexoxy)benzyl]-2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-6-ol Formula: C37H44N2O4S MolecularWeight: 612.82126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N2CCCC2)OC3=C(C=C(C=C3)CC4=C(SC5=C4C=CC(=C5)O)C6=CC=C(C=C6)OCCN7CCCC7)O

Isomeric SMILES

C1CCC(C(C1)N2CCCC2)OC3=C(C=C(C=C3)CC4=C(SC5=C4C=CC(=C5)O)C6=CC=C(C=C6)OCCN7CCCC7)O

InChI

InChI=1S/C37H44N2O4S/c40-28-12-15-30-31(37(44-36(30)25-28)27-10-13-29(14-11-27)42-22-21-38-17-3-4-18-38)23-26-9-16-35(33(41)24-26)43-34-8-2-1-7-32(34)39-19-5-6-20-39/h9-16,24-25,32,34,40-41H,1-8,17-23H2