3-[[5-[5-(phenylmethyl)-1-benzofuran-2-yl]-2,3-dihydro-1H-inden-1-yl]amino]propanoic acid

Systemtic Name: 3-[[5-[5-(phenylmethyl)-1-benzofuran-2-yl]-2,3-dihydro-1H-inden-1-yl]amino]propanoic acid Openeye Name: 3-[[5-(5-benzylbenzofuran-2-yl)indan-1-yl]amino]propanoic acid CAS Name: 3-[[5-[5-(phenylmethyl)-2-benzofuranyl]-2,3-dihydro-1H-inden-1-yl]amino]propanoic acid IUPAC Name: 3-[[5-(5-benzyl-1-benzofuran-2-yl)-2,3-dihydro-1H-inden-1-yl]amino]propanoic acid Traditional Name: 3-[[5-(5-benzylbenzofuran-2-yl)indan-1-yl]amino]propionic acid Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1NCCC(=O)O)C=CC(=C2)C3=CC4=C(O3)C=CC(=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1NCCC(=O)O)C=CC(=C2)C3=CC4=C(O3)C=CC(=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25NO3/c29-27(30)12-13-28-24-10-8-20-16-21(7-9-23(20)24)26-17-22-15-19(6-11-25(22)31-26)14-18-4-2-1-3-5-18/h1-7,9,11,15-17,24,28H,8,10,12-14H2,(H,29,30)