2-[1-benzothiophen-3-yl(oxidanyl)methyl]-3-(4-hydroxyphenyl)-5-(2-oxidanyl-3-pyrrolidin-3-yl-propoxy)phenol

Systemtic Name: 2-[1-benzothiophen-3-yl(oxidanyl)methyl]-3-(4-hydroxyphenyl)-5-(2-oxidanyl-3-pyrrolidin-3-yl-propoxy)phenol Openeye Name: 2-[benzothiophen-3-yl(hydroxy)methyl]-3-(4-hydroxyphenyl)-5-(2-hydroxy-3-pyrrolidin-3-yl-propoxy)phenol CAS Name: 2-[1-benzothiophen-3-yl(hydroxy)methyl]-3-(4-hydroxyphenyl)-5-[2-hydroxy-3-(3-pyrrolidinyl)propoxy]phenol IUPAC Name: 2-[1-benzothiophen-3-yl(hydroxy)methyl]-3-(4-hydroxyphenyl)-5-(2-hydroxy-3-pyrrolidin-3-ylpropoxy)phenol Traditional Name: 2-[benzothiophen-3-yl(hydroxy)methyl]-3-(4-hydroxyphenyl)-5-(2-hydroxy-3-pyrrolidin-3-yl-propoxy)phenol Formula: C28H29NO5S MolecularWeight: 491.59856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CC(COC2=CC(=C(C(=C2)C3=CC=C(C=C3)O)C(C4=CSC5=CC=CC=C54)O)O)O

Isomeric SMILES

C1CNCC1CC(COC2=CC(=C(C(=C2)C3=CC=C(C=C3)O)C(C4=CSC5=CC=CC=C54)O)O)O

InChI

InChI=1S/C28H29NO5S/c30-19-7-5-18(6-8-19)23-12-21(34-15-20(31)11-17-9-10-29-14-17)13-25(32)27(23)28(33)24-16-35-26-4-2-1-3-22(24)26/h1-8,12-13,16-17,20,28-33H,9-11,14-15H2