(phenylmethyl) (2S)-2-[(3-oxidanylidene-1H-2-benzofuran-5-yl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(3-oxidanylidene-1H-2-benzofuran-5-yl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(3-oxo-1H-isobenzofuran-5-yl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[oxo-[(3-oxo-1H-isobenzofuran-5-yl)amino]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(3-oxo-1H-2-benzofuran-5-yl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(3-ketophthalan-5-yl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC4=C(COC4=O)C=C3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC4=C(COC4=O)C=C3

InChI

InChI=1S/C21H20N2O5/c24-19(22-16-9-8-15-13-27-20(25)17(15)11-16)18-7-4-10-23(18)21(26)28-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,18H,4,7,10,12-13H2,(H,22,24)/t18-/m0/s1