2-(4-hydroxyphenyl)-3-(11-pyrrolidin-1-ylundecyl)-1-benzothiophen-6-ol

Systemtic Name: 2-(4-hydroxyphenyl)-3-(11-pyrrolidin-1-ylundecyl)-1-benzothiophen-6-ol Openeye Name: 2-(4-hydroxyphenyl)-3-(11-pyrrolidin-1-ylundecyl)benzothiophen-6-ol CAS Name: 2-(4-hydroxyphenyl)-3-[11-(1-pyrrolidinyl)undecyl]-1-benzothiophen-6-ol IUPAC Name: 2-(4-hydroxyphenyl)-3-(11-pyrrolidin-1-ylundecyl)-1-benzothiophen-6-ol Traditional Name: 2-(4-hydroxyphenyl)-3-(11-pyrrolidinoundecyl)benzothiophen-6-ol Formula: C29H39NO2S MolecularWeight: 465.69046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCCCCCCCCC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O

Isomeric SMILES

C1CCN(C1)CCCCCCCCCCCC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C29H39NO2S/c31-24-15-13-23(14-16-24)29-27(26-18-17-25(32)22-28(26)33-29)12-8-6-4-2-1-3-5-7-9-19-30-20-10-11-21-30/h13-18,22,31-32H,1-12,19-21H2