2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophene-6-carboxylic acid hydrochloride

Systemtic Name: 2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophene-6-carboxylic acid hydrochloride Openeye Name: 2-(4-hydroxyphenyl)-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophene-6-carboxylic acid hydrochloride CAS Name: 2-(4-hydroxyphenyl)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophene-6-carboxylic acid hydrochloride IUPAC Name: 2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophene-6-carboxylic acid hydrochloride Traditional Name: 2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophene-6-carboxylic acid hydrochloride Formula: C29H28ClNO5S MolecularWeight: 538.05432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)C(=O)O)C5=CC=C(C=C5)O.Cl

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)C(=O)O)C5=CC=C(C=C5)O.Cl

InChI

InChI=1S/C29H27NO5S.ClH/c31-22-9-4-20(5-10-22)28-26(24-13-8-21(29(33)34)18-25(24)36-28)27(32)19-6-11-23(12-7-19)35-17-16-30-14-2-1-3-15-30;/h4-13,18,31H,1-3,14-17H2,(H,33,34);1H