3-[6-(5-butoxy-1-benzofuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[6-(5-butoxy-1-benzofuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[6-(5-butoxybenzofuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[6-(5-butoxy-2-benzofuranyl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[6-(5-butoxy-1-benzofuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[6-(5-butoxybenzofuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC(=C2)C3=CC4=C(CN(CC4)CCC(=O)O)C=C3

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)OC(=C2)C3=CC4=C(CN(CC4)CCC(=O)O)C=C3

InChI

InChI=1S/C24H27NO4/c1-2-3-12-28-21-6-7-22-20(14-21)15-23(29-22)18-4-5-19-16-25(11-9-24(26)27)10-8-17(19)13-18/h4-7,13-15H,2-3,8-12,16H2,1H3,(H,26,27)