[2-(4-hydroxyphenyl)-6-phosphonato-1-benzothiophen-3-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone

Systemtic Name: [2-(4-hydroxyphenyl)-6-phosphonato-1-benzothiophen-3-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone Openeye Name: [2-(4-hydroxyphenyl)-6-phosphonato-benzothiophen-3-yl]-[4-[3-(1-piperidyl)propoxy]phenyl]methanone CAS Name: [2-(4-hydroxyphenyl)-6-phosphonato-1-benzothiophen-3-yl]-[4-[3-(1-piperidinyl)propoxy]phenyl]methanone IUPAC Name: [2-(4-hydroxyphenyl)-6-phosphonato-1-benzothiophen-3-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone Traditional Name: [2-(4-hydroxyphenyl)-6-phosphonato-benzothiophen-3-yl]-[4-(3-piperidinopropoxy)phenyl]methanone Formula: C29H28NO6PS-2 MolecularWeight: 549.574481

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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)/p-2