prop-2-enyl (2S)-3-(1,3-benzodioxol-5-yl)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylate

Systemtic Name: prop-2-enyl (2S)-3-(1,3-benzodioxol-5-yl)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carboxylate Openeye Name: allyl (2S)-3-(1,3-benzodioxol-5-yl)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-3-(1,3-benzodioxol-5-yl)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S)-3-(1,3-benzodioxol-5-yl)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-3-(1,3-benzodioxol-5-yl)-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carboxylic acid allyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCC(C1C(=O)OCC=C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCC([C@H]1C(=O)OCC=C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H27NO6/c1-5-11-27-21(26)18-15(14-7-8-16-17(12-14)29-13-28-16)9-10-23(18)20(25)19(24)22(3,4)6-2/h5,7-8,12,15,18H,1,6,9-11,13H2,2-4H3/t15?,18-/m0/s1