3-[[3-bromanyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol

Systemtic Name: 3-[[3-bromanyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol Openeye Name: 3-[[3-bromo-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-6-ol CAS Name: 3-[[3-bromo-4-(1-pyrrolidinylmethyl)phenyl]methyl]-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-6-ol IUPAC Name: 3-[[3-bromo-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol Traditional Name: 3-[3-bromo-4-(pyrrolidinomethyl)benzyl]-2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-6-ol Formula: C32H35BrN2O2S MolecularWeight: 591.6015

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(C4=C(S3)C=C(C=C4)O)CC5=CC(=C(C=C5)CN6CCCC6)Br

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(C4=C(S3)C=C(C=C4)O)CC5=CC(=C(C=C5)CN6CCCC6)Br

InChI

InChI=1S/C32H35BrN2O2S/c33-30-20-23(5-6-25(30)22-35-15-3-4-16-35)19-29-28-12-9-26(36)21-31(28)38-32(29)24-7-10-27(11-8-24)37-18-17-34-13-1-2-14-34/h5-12,20-21,36H,1-4,13-19,22H2