(2S)-N-(2-ethylhexyl)-1-(2-oxidanylidenechromen-4-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(2-ethylhexyl)-1-(2-oxidanylidenechromen-4-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(2-ethylhexyl)-1-(2-oxochromen-4-yl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(2-ethylhexyl)-1-(2-oxo-1-benzopyran-4-yl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(2-ethylhexyl)-1-(2-oxochromen-4-yl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(2-ethylhexyl)-1-(2-ketochromen-4-yl)pyrrolidine-2-carboxamide Formula: C22H30N2O3 MolecularWeight: 370.4852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1CCCN1C2=CC(=O)OC3=CC=CC=C32

Isomeric SMILES

CCCCC(CC)CNC(=O)[C@@H]1CCCN1C2=CC(=O)OC3=CC=CC=C32

InChI

InChI=1S/C22H30N2O3/c1-3-5-9-16(4-2)15-23-22(26)18-11-8-13-24(18)19-14-21(25)27-20-12-7-6-10-17(19)20/h6-7,10,12,14,16,18H,3-5,8-9,11,13,15H2,1-2H3,(H,23,26)/t16?,18-/m0/s1