4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]benzoic acid

Systemtic Name: 4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]benzoic acid Openeye Name: 4-[6-hydroxy-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]benzoic acid CAS Name: 4-[6-hydroxy-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]benzoic acid IUPAC Name: 4-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]benzoic acid Traditional Name: 4-[6-hydroxy-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]benzoic acid Formula: C29H27NO5S MolecularWeight: 501.59338

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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)O)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

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

InChI

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