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

Systemtic Name: 3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophene-6-carboxylic acid Openeye Name: 3-[4-[2-(1-piperidyl)ethoxy]benzoyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophene-6-carboxylic acid CAS Name: 3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophene-6-carboxylic acid IUPAC Name: 3-[4-(2-piperidin-1-ylethoxy)benzoyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophene-6-carboxylic acid Traditional Name: 3-[4-(2-piperidinoethoxy)benzoyl]-2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophene-6-carboxylic acid Formula: C35H38N2O5S MolecularWeight: 598.75162

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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)OCCN6CCCC6

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)OCCN6CCCC6

InChI

InChI=1S/C35H38N2O5S/c38-33(25-6-11-28(12-7-25)41-22-20-36-16-2-1-3-17-36)32-30-15-10-27(35(39)40)24-31(30)43-34(32)26-8-13-29(14-9-26)42-23-21-37-18-4-5-19-37/h6-15,24H,1-5,16-23H2,(H,39,40)