3-[2-(4-hydroxyphenyl)-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-benzothiophen-6-ol

Systemtic Name: 3-[2-(4-hydroxyphenyl)-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-benzothiophen-6-ol Openeye Name: 3-[2-(4-hydroxyphenyl)-3-(3-pyrrolidin-1-ylpropoxy)phenyl]benzothiophen-6-ol CAS Name: 3-[2-(4-hydroxyphenyl)-3-[3-(1-pyrrolidinyl)propoxy]phenyl]-1-benzothiophen-6-ol IUPAC Name: 3-[2-(4-hydroxyphenyl)-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-benzothiophen-6-ol Traditional Name: 3-[2-(4-hydroxyphenyl)-3-(3-pyrrolidinopropoxy)phenyl]benzothiophen-6-ol Formula: C27H27NO3S MolecularWeight: 445.57318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCOC2=CC=CC(=C2C3=CC=C(C=C3)O)C4=CSC5=C4C=CC(=C5)O

Isomeric SMILES

C1CCN(C1)CCCOC2=CC=CC(=C2C3=CC=C(C=C3)O)C4=CSC5=C4C=CC(=C5)O

InChI

InChI=1S/C27H27NO3S/c29-20-9-7-19(8-10-20)27-23(24-18-32-26-17-21(30)11-12-22(24)26)5-3-6-25(27)31-16-4-15-28-13-1-2-14-28/h3,5-12,17-18,29-30H,1-2,4,13-16H2