4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-methyl-amino]-1-benzothiophen-2-yl]phenol

Systemtic Name: 4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-methyl-amino]-1-benzothiophen-2-yl]phenol Openeye Name: 4-[3-[3-methoxy-N-methyl-4-(pyrrolidin-1-ylmethyl)anilino]benzothiophen-2-yl]phenol CAS Name: 4-[3-[3-methoxy-N-methyl-4-(1-pyrrolidinylmethyl)anilino]-1-benzothiophen-2-yl]phenol IUPAC Name: 4-[3-[3-methoxy-N-methyl-4-(pyrrolidin-1-ylmethyl)anilino]-1-benzothiophen-2-yl]phenol Traditional Name: 4-[3-[3-methoxy-N-methyl-4-(pyrrolidinomethyl)anilino]benzothiophen-2-yl]phenol Formula: C27H28N2O2S MolecularWeight: 444.58842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=C(C=C1)CN2CCCC2)OC)C3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)O

Isomeric SMILES

CN(C1=CC(=C(C=C1)CN2CCCC2)OC)C3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)O

InChI

InChI=1S/C27H28N2O2S/c1-28(21-12-9-20(24(17-21)31-2)18-29-15-5-6-16-29)26-23-7-3-4-8-25(23)32-27(26)19-10-13-22(30)14-11-19/h3-4,7-14,17,30H,5-6,15-16,18H2,1-2H3