2-[2-nitro-4-[4-[2-(phenylmethyl)-1-benzofuran-3-yl]phenyl]phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-nitro-4-[4-[2-(phenylmethyl)-1-benzofuran-3-yl]phenyl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[4-(2-benzylbenzofuran-3-yl)phenyl]-2-nitro-phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[2-nitro-4-[4-[2-(phenylmethyl)-3-benzofuranyl]phenyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]-2-nitrophenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[4-(2-benzylbenzofuran-3-yl)phenyl]-2-nitro-phenoxy]-3-phenyl-propionic acid Formula: C36H27NO6 MolecularWeight: 569.60268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3O2)C4=CC=C(C=C4)C5=CC(=C(C=C5)OC(CC6=CC=CC=C6)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3O2)C4=CC=C(C=C4)C5=CC(=C(C=C5)OC(CC6=CC=CC=C6)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C36H27NO6/c38-36(39)34(22-25-11-5-2-6-12-25)43-32-20-19-28(23-30(32)37(40)41)26-15-17-27(18-16-26)35-29-13-7-8-14-31(29)42-33(35)21-24-9-3-1-4-10-24/h1-20,23,34H,21-22H2,(H,38,39)