(4-cyanophenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-cyanophenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-cyanophenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidine-3-carboxylic acid (4-cyanophenyl) ester Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)OC4=CC=C(C=C4)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C[C@H](CC3=O)C(=O)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H16N2O5/c21-11-13-1-4-16(5-2-13)27-20(24)14-9-19(23)22(12-14)15-3-6-17-18(10-15)26-8-7-25-17/h1-6,10,14H,7-9,12H2/t14-/m0/s1