[(1R)-1-cyanoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [(1R)-1-cyanoethyl] ester Formula: C14H13NO4 MolecularWeight: 259.25732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C(C2=CC=CC=C2O1)COC

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=C(C2=CC=CC=C2O1)COC

InChI

InChI=1S/C14H13NO4/c1-9(7-15)18-14(16)13-11(8-17-2)10-5-3-4-6-12(10)19-13/h3-6,9H,8H2,1-2H3/t9-/m1/s1