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

Systemtic Name: (3,4-dimethylphenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3,4-dimethylphenyl) (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 (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) (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 (3,4-dimethylphenyl) ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)[C@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C21H21NO5/c1-13-3-5-17(9-14(13)2)27-21(24)15-10-20(23)22(12-15)16-4-6-18-19(11-16)26-8-7-25-18/h3-6,9,11,15H,7-8,10,12H2,1-2H3/t15-/m0/s1