4-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-oxidanyl-1-benzothiophen-2-yl]phenoxy]butanoic acid

Systemtic Name: 4-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-oxidanyl-1-benzothiophen-2-yl]phenoxy]butanoic acid Openeye Name: 4-[4-[6-hydroxy-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-2-yl]phenoxy]butanoic acid CAS Name: 4-[4-[6-hydroxy-3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanoic acid IUPAC Name: 4-[4-[6-hydroxy-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanoic acid Traditional Name: 4-[4-[6-hydroxy-3-[3-methoxy-4-(pyrrolidinomethyl)benzyl]benzothiophen-2-yl]phenoxy]butyric acid Formula: C31H33NO5S MolecularWeight: 531.66242

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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)OCCCC(=O)O)CN5CCCC5

Isomeric SMILES

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

InChI

InChI=1S/C31H33NO5S/c1-36-28-18-21(6-7-23(28)20-32-14-2-3-15-32)17-27-26-13-10-24(33)19-29(26)38-31(27)22-8-11-25(12-9-22)37-16-4-5-30(34)35/h6-13,18-19,33H,2-5,14-17,20H2,1H3,(H,34,35)