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

Systemtic Name: (2,3,6-trimethylphenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2,3,6-trimethylphenyl) (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 (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) (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 (2,3,6-trimethylphenyl) ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5/c1-13-4-5-14(2)21(15(13)3)28-22(25)16-10-20(24)23(12-16)17-6-7-18-19(11-17)27-9-8-26-18/h4-7,11,16H,8-10,12H2,1-3H3/t16-/m0/s1