(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) 3-methyl-1,2-oxazole-5-carboxylate

Systemtic Name: (3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) 3-methyl-1,2-oxazole-5-carboxylate Openeye Name: (3-ethoxycarbonyl-2-phenyl-benzofuran-5-yl) 3-methylisoxazole-5-carboxylate CAS Name: 3-methyl-5-isoxazolecarboxylic acid (3-ethoxycarbonyl-2-phenyl-5-benzofuranyl) ester IUPAC Name: (3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) 3-methyl-1,2-oxazole-5-carboxylate Traditional Name: 3-methylisoxazole-5-carboxylic acid (3-carbethoxy-2-phenyl-benzofuran-5-yl) ester Formula: C22H17NO6 MolecularWeight: 391.37348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC(=NO3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC(=NO3)C)C4=CC=CC=C4

InChI

InChI=1S/C22H17NO6/c1-3-26-22(25)19-16-12-15(27-21(24)18-11-13(2)23-29-18)9-10-17(16)28-20(19)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3