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

Systemtic Name: [2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl]phosphonic acid Openeye Name: [2-phenyl-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-6-yl]phosphonic acid CAS Name: [3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-2-phenyl-1-benzothiophen-6-yl]phosphonic acid IUPAC Name: [2-phenyl-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]phosphonic acid Traditional Name: [2-phenyl-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-6-yl]phosphonic acid Formula: C28H28NO5PS MolecularWeight: 521.564381

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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

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

InChI

InChI=1S/C28H28NO5PS/c30-27(20-9-11-22(12-10-20)34-18-17-29-15-5-2-6-16-29)26-24-14-13-23(35(31,32)33)19-25(24)36-28(26)21-7-3-1-4-8-21/h1,3-4,7-14,19H,2,5-6,15-18H2,(H2,31,32,33)