1-benzothiophen-3-yl-[2-(4-hydroxyphenyl)-3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone

Systemtic Name: 1-benzothiophen-3-yl-[2-(4-hydroxyphenyl)-3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone Openeye Name: benzothiophen-3-yl-[2-(4-hydroxyphenyl)-3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone CAS Name: 1-benzothiophen-3-yl-[2-(4-hydroxyphenyl)-3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methanone IUPAC Name: 1-benzothiophen-3-yl-[2-(4-hydroxyphenyl)-3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone Traditional Name: benzothiophen-3-yl-[2-(4-hydroxyphenyl)-3-methoxy-4-(pyrrolidinomethyl)phenyl]methanone Formula: C27H25NO3S MolecularWeight: 443.5573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1C2=CC=C(C=C2)O)C(=O)C3=CSC4=CC=CC=C43)CN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1C2=CC=C(C=C2)O)C(=O)C3=CSC4=CC=CC=C43)CN5CCCC5

InChI

InChI=1S/C27H25NO3S/c1-31-27-19(16-28-14-4-5-15-28)10-13-22(25(27)18-8-11-20(29)12-9-18)26(30)23-17-32-24-7-3-2-6-21(23)24/h2-3,6-13,17,29H,4-5,14-16H2,1H3