3-[2-(4-hydroxyphenyl)-3-(3-piperidin-1-ylbutoxy)phenyl]-1-benzothiophen-6-ol

Systemtic Name: 3-[2-(4-hydroxyphenyl)-3-(3-piperidin-1-ylbutoxy)phenyl]-1-benzothiophen-6-ol Openeye Name: 3-[2-(4-hydroxyphenyl)-3-[3-(1-piperidyl)butoxy]phenyl]benzothiophen-6-ol CAS Name: 3-[2-(4-hydroxyphenyl)-3-[3-(1-piperidinyl)butoxy]phenyl]-1-benzothiophen-6-ol IUPAC Name: 3-[2-(4-hydroxyphenyl)-3-(3-piperidin-1-ylbutoxy)phenyl]-1-benzothiophen-6-ol Traditional Name: 3-[2-(4-hydroxyphenyl)-3-(3-piperidinobutoxy)phenyl]benzothiophen-6-ol Formula: C29H31NO3S MolecularWeight: 473.62634

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=CC=CC(=C1C2=CC=C(C=C2)O)C3=CSC4=C3C=CC(=C4)O)N5CCCCC5

Isomeric SMILES

CC(CCOC1=CC=CC(=C1C2=CC=C(C=C2)O)C3=CSC4=C3C=CC(=C4)O)N5CCCCC5

InChI

InChI=1S/C29H31NO3S/c1-20(30-15-3-2-4-16-30)14-17-33-27-7-5-6-25(29(27)21-8-10-22(31)11-9-21)26-19-34-28-18-23(32)12-13-24(26)28/h5-13,18-20,31-32H,2-4,14-17H2,1H3