(3R)-1-[[4-(2-tert-butyl-4-ethyl-phenoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: (3R)-1-[[4-(2-tert-butyl-4-ethyl-phenoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: (3R)-1-[[4-(2-tert-butyl-4-ethyl-phenoxy)phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: (3R)-1-[[4-(2-tert-butyl-4-ethylphenoxy)phenyl]methyl]-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: (3R)-1-[[4-(2-tert-butyl-4-ethylphenoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid Traditional Name: (3R)-1-[4-(2-tert-butyl-4-ethyl-phenoxy)benzyl]-5-keto-pyrrolidine-3-carboxylic acid Formula: C24H29NO4 MolecularWeight: 395.49136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC2=CC=C(C=C2)CN3CC(CC3=O)C(=O)O)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)OC2=CC=C(C=C2)CN3C[C@@H](CC3=O)C(=O)O)C(C)(C)C

InChI

InChI=1S/C24H29NO4/c1-5-16-8-11-21(20(12-16)24(2,3)4)29-19-9-6-17(7-10-19)14-25-15-18(23(27)28)13-22(25)26/h6-12,18H,5,13-15H2,1-4H3,(H,27,28)/t18-/m1/s1