3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(4-oxidanylbutoxy)phenyl]-1-benzothiophen-6-ol

Systemtic Name: 3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(4-oxidanylbutoxy)phenyl]-1-benzothiophen-6-ol Openeye Name: 2-[4-(4-hydroxybutoxy)phenyl]-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-6-ol CAS Name: 2-[4-(4-hydroxybutoxy)phenyl]-3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-6-ol IUPAC Name: 2-[4-(4-hydroxybutoxy)phenyl]-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-6-ol Traditional Name: 2-[4-(4-hydroxybutoxy)phenyl]-3-[3-methoxy-4-(pyrrolidinomethyl)benzyl]benzothiophen-6-ol Formula: C31H35NO4S MolecularWeight: 517.6789

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)OCCCCO)CN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)OCCCCO)CN5CCCC5

InChI

InChI=1S/C31H35NO4S/c1-35-29-19-22(6-7-24(29)21-32-14-2-3-15-32)18-28-27-13-10-25(34)20-30(27)37-31(28)23-8-11-26(12-9-23)36-17-5-4-16-33/h6-13,19-20,33-34H,2-5,14-18,21H2,1H3