2-(4-hydroxyphenyl)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-6-ol hydrochloride

Systemtic Name: 2-(4-hydroxyphenyl)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-6-ol hydrochloride Openeye Name: 2-(4-hydroxyphenyl)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]benzothiophen-6-ol hydrochloride CAS Name: 2-(4-hydroxyphenyl)-3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-6-ol hydrochloride IUPAC Name: 2-(4-hydroxyphenyl)-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-6-ol hydrochloride Traditional Name: 2-(4-hydroxyphenyl)-3-[4-(2-pyrrolidinoethoxy)benzyl]benzothiophen-6-ol hydrochloride Formula: C27H28ClNO3S MolecularWeight: 482.03412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl

InChI

InChI=1S/C27H27NO3S.ClH/c29-21-7-5-20(6-8-21)27-25(24-12-9-22(30)18-26(24)32-27)17-19-3-10-23(11-4-19)31-16-15-28-13-1-2-14-28;/h3-12,18,29-30H,1-2,13-17H2;1H