2-[4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenoxy]ethanamine

Systemtic Name: 2-[4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenoxy]ethanamine Openeye Name: 2-[4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-3-yl]methyl]phenoxy]ethanamine CAS Name: 2-[4-[[2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-3-yl]methyl]phenoxy]ethanamine IUPAC Name: 2-[4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenoxy]ethanamine Traditional Name: 2-[4-[[2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-3-yl]methyl]phenoxy]ethylamine Formula: C29H32N2O2S MolecularWeight: 472.64158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(C4=CC=CC=C4S3)CC5=CC=C(C=C5)OCCN

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(C4=CC=CC=C4S3)CC5=CC=C(C=C5)OCCN

InChI

InChI=1S/C29H32N2O2S/c30-15-19-32-24-11-7-22(8-12-24)21-27-26-5-1-2-6-28(26)34-29(27)23-9-13-25(14-10-23)33-20-18-31-16-3-4-17-31/h1-2,5-14H,3-4,15-21,30H2