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

Systemtic Name: 2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[[6-(pyrrolidin-1-ylmethyl)pyridin-3-yl]methyl]-1-benzothiophen-6-ol Openeye Name: 2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[[6-(pyrrolidin-1-ylmethyl)-3-pyridyl]methyl]benzothiophen-6-ol CAS Name: 2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3-[[6-(1-pyrrolidinylmethyl)-3-pyridinyl]methyl]-1-benzothiophen-6-ol IUPAC Name: 2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[[6-(pyrrolidin-1-ylmethyl)pyridin-3-yl]methyl]-1-benzothiophen-6-ol Traditional Name: 2-[4-(2-pyrrolidinoethoxy)phenyl]-3-[[6-(pyrrolidinomethyl)-3-pyridyl]methyl]benzothiophen-6-ol Formula: C31H35N3O2S MolecularWeight: 513.6935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35N3O2S/c35-26-9-12-28-29(19-23-5-8-25(32-21-23)22-34-15-3-4-16-34)31(37-30(28)20-26)24-6-10-27(11-7-24)36-18-17-33-13-1-2-14-33/h5-12,20-21,35H,1-4,13-19,22H2