(3S)-2-oxidanylidene-1-[2-(2,4,5-trimethylphenoxy)ethyl]pyrrolidine-3-carboxylate

Systemtic Name: (3S)-2-oxidanylidene-1-[2-(2,4,5-trimethylphenoxy)ethyl]pyrrolidine-3-carboxylate Openeye Name: (3S)-2-oxo-1-[2-(2,4,5-trimethylphenoxy)ethyl]pyrrolidine-3-carboxylate CAS Name: (3S)-2-oxo-1-[2-(2,4,5-trimethylphenoxy)ethyl]-3-pyrrolidinecarboxylate IUPAC Name: (3S)-2-oxo-1-[2-(2,4,5-trimethylphenoxy)ethyl]pyrrolidine-3-carboxylate Traditional Name: (3S)-2-keto-1-[2-(2,4,5-trimethylphenoxy)ethyl]pyrrolidine-3-carboxylate Formula: C16H20NO4- MolecularWeight: 290.3343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OCCN2CCC(C2=O)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1C)OCCN2CC[C@@H](C2=O)C(=O)[O-])C

InChI

InChI=1S/C16H21NO4/c1-10-8-12(3)14(9-11(10)2)21-7-6-17-5-4-13(15(17)18)16(19)20/h8-9,13H,4-7H2,1-3H3,(H,19,20)/p-1/t13-/m0/s1