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

Systemtic Name: 3-[[4-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol Openeye Name: 3-[[4-(2-imidazol-1-ylcyclohexoxy)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-6-ol CAS Name: 3-[[4-[2-(1-imidazolyl)cyclohexyl]oxyphenyl]methyl]-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-6-ol IUPAC Name: 3-[[4-(2-imidazol-1-ylcyclohexyl)oxyphenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol Traditional Name: 3-[4-(2-imidazol-1-ylcyclohexoxy)benzyl]-2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-6-ol Formula: C36H39N3O3S MolecularWeight: 593.77816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N2C=CN=C2)OC3=CC=C(C=C3)CC4=C(SC5=C4C=CC(=C5)O)C6=CC=C(C=C6)OCCN7CCCC7

Isomeric SMILES

C1CCC(C(C1)N2C=CN=C2)OC3=CC=C(C=C3)CC4=C(SC5=C4C=CC(=C5)O)C6=CC=C(C=C6)OCCN7CCCC7

InChI

InChI=1S/C36H39N3O3S/c40-28-11-16-31-32(23-26-7-12-30(13-8-26)42-34-6-2-1-5-33(34)39-20-17-37-25-39)36(43-35(31)24-28)27-9-14-29(15-10-27)41-22-21-38-18-3-4-19-38/h7-17,20,24-25,33-34,40H,1-6,18-19,21-23H2