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

Systemtic Name: [2-(4-hydroxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl]phosphonic acid Openeye Name: [2-(4-hydroxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]benzothiophen-6-yl]phosphonic acid CAS Name: [2-(4-hydroxyphenyl)-3-[oxo-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-6-yl]phosphonic acid IUPAC Name: [2-(4-hydroxyphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]phosphonic acid Traditional Name: [2-(4-hydroxyphenyl)-3-[4-(2-pyrrolidinoethoxy)benzoyl]benzothiophen-6-yl]phosphonic acid Formula: C27H26NO6PS MolecularWeight: 523.537201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)P(=O)(O)O)C5=CC=C(C=C5)O

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)P(=O)(O)O)C5=CC=C(C=C5)O

InChI

InChI=1S/C27H26NO6PS/c29-20-7-3-19(4-8-20)27-25(23-12-11-22(35(31,32)33)17-24(23)36-27)26(30)18-5-9-21(10-6-18)34-16-15-28-13-1-2-14-28/h3-12,17,29H,1-2,13-16H2,(H2,31,32,33)