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

Systemtic Name: [2-(4-hydroxyphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1-benzothiophen-6-yl]phosphonic acid Openeye Name: [2-(4-hydroxyphenyl)-3-[4-[3-(1-piperidyl)propoxy]benzoyl]benzothiophen-6-yl]phosphonic acid CAS Name: [2-(4-hydroxyphenyl)-3-[oxo-[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1-benzothiophen-6-yl]phosphonic acid IUPAC Name: [2-(4-hydroxyphenyl)-3-[4-(3-piperidin-1-ylpropoxy)benzoyl]-1-benzothiophen-6-yl]phosphonic acid Traditional Name: [2-(4-hydroxyphenyl)-3-[4-(3-piperidinopropoxy)benzoyl]benzothiophen-6-yl]phosphonic acid Formula: C29H30NO6PS MolecularWeight: 551.590361

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=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(CC1)CCCOC2=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/C29H30NO6PS/c31-22-9-5-21(6-10-22)29-27(25-14-13-24(37(33,34)35)19-26(25)38-29)28(32)20-7-11-23(12-8-20)36-18-4-17-30-15-2-1-3-16-30/h5-14,19,31H,1-4,15-18H2,(H2,33,34,35)