2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1-(2-oxidanylidenepropyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1-(2-oxidanylidenepropyl)pyrrolidine-3-carboxylic acid Openeye Name: 1-acetonyl-2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxylic acid CAS Name: 2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1-(2-oxopropyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1-(2-oxopropyl)pyrrolidine-3-carboxylic acid Traditional Name: 1-acetonyl-2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxylic acid Formula: C23H33NO6 MolecularWeight: 419.51122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)CC1C(C(CN1CC(=O)C)C2=CC3=C(C(=C2)OC)OCO3)C(=O)O

Isomeric SMILES

CCCC(C)(C)CC1C(C(CN1CC(=O)C)C2=CC3=C(C(=C2)OC)OCO3)C(=O)O

InChI

InChI=1S/C23H33NO6/c1-6-7-23(3,4)10-17-20(22(26)27)16(12-24(17)11-14(2)25)15-8-18(28-5)21-19(9-15)29-13-30-21/h8-9,16-17,20H,6-7,10-13H2,1-5H3,(H,26,27)