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

Systemtic Name: [2-(3-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl]phosphonic acid Openeye Name: [2-(3-hydroxyphenyl)-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-6-yl]phosphonic acid CAS Name: [2-(3-hydroxyphenyl)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-6-yl]phosphonic acid IUPAC Name: [2-(3-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]phosphonic acid Traditional Name: [2-(3-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-6-yl]phosphonic acid Formula: C28H28NO6PS MolecularWeight: 537.563781

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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)P(=O)(O)O)C5=CC(=CC=C5)O

Isomeric SMILES

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

InChI

InChI=1S/C28H28NO6PS/c30-21-6-4-5-20(17-21)28-26(24-12-11-23(36(32,33)34)18-25(24)37-28)27(31)19-7-9-22(10-8-19)35-16-15-29-13-2-1-3-14-29/h4-12,17-18,30H,1-3,13-16H2,(H2,32,33,34)