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

Systemtic Name: 3-[2-(4-hydroxyphenyl)-3-(3-pyrrolidin-1-ylbutoxy)phenyl]-1-benzothiophen-6-ol Openeye Name: 3-[2-(4-hydroxyphenyl)-3-(3-pyrrolidin-1-ylbutoxy)phenyl]benzothiophen-6-ol CAS Name: 3-[2-(4-hydroxyphenyl)-3-[3-(1-pyrrolidinyl)butoxy]phenyl]-1-benzothiophen-6-ol IUPAC Name: 3-[2-(4-hydroxyphenyl)-3-(3-pyrrolidin-1-ylbutoxy)phenyl]-1-benzothiophen-6-ol Traditional Name: 3-[2-(4-hydroxyphenyl)-3-(3-pyrrolidinobutoxy)phenyl]benzothiophen-6-ol Formula: C28H29NO3S MolecularWeight: 459.59976

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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)N5CCCC5

Isomeric SMILES

CC(CCOC1=CC=CC(=C1C2=CC=C(C=C2)O)C3=CSC4=C3C=CC(=C4)O)N5CCCC5

InChI

InChI=1S/C28H29NO3S/c1-19(29-14-2-3-15-29)13-16-32-26-6-4-5-24(28(26)20-7-9-21(30)10-8-20)25-18-33-27-17-22(31)11-12-23(25)27/h4-12,17-19,30-31H,2-3,13-16H2,1H3