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

Systemtic Name: 4-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-methyl-amino]-1-benzothiophen-2-yl]phenoxy]butanoic acid Openeye Name: 4-[4-[3-[3-methoxy-N-methyl-4-(pyrrolidin-1-ylmethyl)anilino]benzothiophen-2-yl]phenoxy]butanoic acid CAS Name: 4-[4-[3-[3-methoxy-N-methyl-4-(1-pyrrolidinylmethyl)anilino]-1-benzothiophen-2-yl]phenoxy]butanoic acid IUPAC Name: 4-[4-[3-[3-methoxy-N-methyl-4-(pyrrolidin-1-ylmethyl)anilino]-1-benzothiophen-2-yl]phenoxy]butanoic acid Traditional Name: 4-[4-[3-[3-methoxy-N-methyl-4-(pyrrolidinomethyl)anilino]benzothiophen-2-yl]phenoxy]butyric acid Formula: C31H34N2O4S MolecularWeight: 530.67766

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=C(C=C1)CN2CCCC2)OC)C3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)OCCCC(=O)O

Isomeric SMILES

CN(C1=CC(=C(C=C1)CN2CCCC2)OC)C3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)OCCCC(=O)O

InChI

InChI=1S/C31H34N2O4S/c1-32(24-14-11-23(27(20-24)36-2)21-33-17-5-6-18-33)30-26-8-3-4-9-28(26)38-31(30)22-12-15-25(16-13-22)37-19-7-10-29(34)35/h3-4,8-9,11-16,20H,5-7,10,17-19,21H2,1-2H3,(H,34,35)