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

Systemtic Name: 3-[6-(5-cyclopentyl-1-benzofuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[6-(5-cyclopentylbenzofuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[6-(5-cyclopentyl-2-benzofuranyl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[6-(5-cyclopentyl-1-benzofuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[6-(5-cyclopentylbenzofuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO3/c27-25(28)10-12-26-11-9-19-13-20(5-6-21(19)16-26)24-15-22-14-18(7-8-23(22)29-24)17-3-1-2-4-17/h5-8,13-15,17H,1-4,9-12,16H2,(H,27,28)