(3S,4R)-1-(2,2-dimethylpropanoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: (3S,4R)-1-(2,2-dimethylpropanoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: (3S,4R)-1-(2,2-dimethylpropanoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: (3S,4R)-1-(2,2-dimethyl-1-oxopropyl)-4-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: (3S,4R)-1-(2,2-dimethylpropanoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: (3S,4R)-4-(4-methoxyphenyl)-1-pivaloyl-pyrrolidine-3-carboxylic acid Formula: C17H23NO4 MolecularWeight: 305.36882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CC(C(C1)C(=O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)C(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H23NO4/c1-17(2,3)16(21)18-9-13(14(10-18)15(19)20)11-5-7-12(22-4)8-6-11/h5-8,13-14H,9-10H2,1-4H3,(H,19,20)/t13-,14+/m0/s1