5-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-oxidanyl-1-benzothiophen-2-yl]-2-(2-pyrrolidin-1-ylethoxy)benzoate

Systemtic Name: 5-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-oxidanyl-1-benzothiophen-2-yl]-2-(2-pyrrolidin-1-ylethoxy)benzoate Openeye Name: 5-[6-hydroxy-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-2-yl]-2-(2-pyrrolidin-1-ylethoxy)benzoate CAS Name: 5-[6-hydroxy-3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]-2-[2-(1-pyrrolidinyl)ethoxy]benzoate IUPAC Name: 5-[6-hydroxy-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]-2-(2-pyrrolidin-1-ylethoxy)benzoate Traditional Name: 5-[6-hydroxy-3-[3-methoxy-4-(pyrrolidinomethyl)benzyl]benzothiophen-2-yl]-2-(2-pyrrolidinoethoxy)benzoate Formula: C34H37N2O5S- MolecularWeight: 585.73298

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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)OCCN5CCCC5)C(=O)[O-])CN6CCCC6

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC(=C(C=C4)OCCN5CCCC5)C(=O)[O-])CN6CCCC6

InChI

InChI=1S/C34H38N2O5S/c1-40-31-19-23(6-7-25(31)22-36-14-4-5-15-36)18-28-27-10-9-26(37)21-32(27)42-33(28)24-8-11-30(29(20-24)34(38)39)41-17-16-35-12-2-3-13-35/h6-11,19-21,37H,2-5,12-18,22H2,1H3,(H,38,39)/p-1