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

Systemtic Name: 3-[6-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[6-[5-(cyclopentylmethoxy)benzofuran-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[6-[5-(cyclopentylmethoxy)-2-benzofuranyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[6-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[6-[5-(cyclopentylmethoxy)benzofuran-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)COC2=CC3=C(C=C2)OC(=C3)C4=CC5=C(CN(CC5)CCC(=O)O)C=C4

Isomeric SMILES

C1CCC(C1)COC2=CC3=C(C=C2)OC(=C3)C4=CC5=C(CN(CC5)CCC(=O)O)C=C4

InChI

InChI=1S/C26H29NO4/c28-26(29)10-12-27-11-9-19-13-20(5-6-21(19)16-27)25-15-22-14-23(7-8-24(22)31-25)30-17-18-3-1-2-4-18/h5-8,13-15,18H,1-4,9-12,16-17H2,(H,28,29)