3-[2-(1-benzofuran-2-yl)-4,5-dihydrobenzo[e]indol-3-yl]benzoic acid

Systemtic Name: 3-[2-(1-benzofuran-2-yl)-4,5-dihydrobenzo[e]indol-3-yl]benzoic acid Openeye Name: 3-[2-(benzofuran-2-yl)-4,5-dihydrobenzo[e]indol-3-yl]benzoic acid CAS Name: 3-[2-(2-benzofuranyl)-4,5-dihydrobenzo[e]indol-3-yl]benzoic acid IUPAC Name: 3-[2-(1-benzofuran-2-yl)-4,5-dihydrobenzo[e]indol-3-yl]benzoic acid Traditional Name: 3-[2-(benzofuran-2-yl)-4,5-dihydrobenz[e]indol-3-yl]benzoic acid Formula: C27H19NO3 MolecularWeight: 405.44466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(N2C3=CC=CC(=C3)C(=O)O)C4=CC5=CC=CC=C5O4)C6=CC=CC=C61

Isomeric SMILES

C1CC2=C(C=C(N2C3=CC=CC(=C3)C(=O)O)C4=CC5=CC=CC=C5O4)C6=CC=CC=C61

InChI

InChI=1S/C27H19NO3/c29-27(30)19-8-5-9-20(14-19)28-23-13-12-17-6-1-3-10-21(17)22(23)16-24(28)26-15-18-7-2-4-11-25(18)31-26/h1-11,14-16H,12-13H2,(H,29,30)