4-[6-phosphonato-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenol

Systemtic Name: 4-[6-phosphonato-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenol Openeye Name: 4-[6-phosphonato-3-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]benzothiophen-2-yl]phenol CAS Name: 4-[6-phosphonato-3-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenol IUPAC Name: 4-[6-phosphonato-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenol Traditional Name: 4-[6-phosphonato-3-[4-(2-piperidinoethoxy)benzyl]benzothiophen-2-yl]phenol Formula: C28H28NO5PS-2 MolecularWeight: 521.564381

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)CC3=C(SC4=C3C=CC(=C4)P(=O)([O-])[O-])C5=CC=C(C=C5)O

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)CC3=C(SC4=C3C=CC(=C4)P(=O)([O-])[O-])C5=CC=C(C=C5)O

InChI

InChI=1S/C28H30NO5PS/c30-22-8-6-21(7-9-22)28-26(25-13-12-24(35(31,32)33)19-27(25)36-28)18-20-4-10-23(11-5-20)34-17-16-29-14-2-1-3-15-29/h4-13,19,30H,1-3,14-18H2,(H2,31,32,33)/p-2