(2R,3R)-3-[(2E)-2-(2-ethoxy-2-oxidanylidene-ethylidene)pyrrolidin-1-yl]-2-ethyl-hexanoic acid

Systemtic Name: (2R,3R)-3-[(2E)-2-(2-ethoxy-2-oxidanylidene-ethylidene)pyrrolidin-1-yl]-2-ethyl-hexanoic acid Openeye Name: (2R,3R)-3-[(2E)-2-(2-ethoxy-2-oxo-ethylidene)pyrrolidin-1-yl]-2-ethyl-hexanoic acid CAS Name: (2R,3R)-3-[(2E)-2-(2-ethoxy-2-oxoethylidene)-1-pyrrolidinyl]-2-ethylhexanoic acid IUPAC Name: (2R,3R)-3-[(2E)-2-(2-ethoxy-2-oxoethylidene)pyrrolidin-1-yl]-2-ethylhexanoic acid Traditional Name: (2R,3R)-3-[(2E)-2-(2-ethoxy-2-keto-ethylidene)pyrrolidino]-2-ethyl-hexanoic acid Formula: C16H27NO4 MolecularWeight: 297.38988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)C(=O)O)N1CCCC1=CC(=O)OCC

Isomeric SMILES

CCC[C@H]([C@@H](CC)C(=O)O)N\1CCC/C1=C\C(=O)OCC

InChI

InChI=1S/C16H27NO4/c1-4-8-14(13(5-2)16(19)20)17-10-7-9-12(17)11-15(18)21-6-3/h11,13-14H,4-10H2,1-3H3,(H,19,20)/b12-11+/t13-,14-/m1/s1