(3S)-9-[6-(methylamino)pyridin-2-yl]-3-quinoxalin-2-yl-nonanoic acid

Systemtic Name: (3S)-9-[6-(methylamino)pyridin-2-yl]-3-quinoxalin-2-yl-nonanoic acid Openeye Name: (3S)-9-[6-(methylamino)-2-pyridyl]-3-quinoxalin-2-yl-nonanoic acid CAS Name: (3S)-9-[6-(methylamino)-2-pyridinyl]-3-(2-quinoxalinyl)nonanoic acid IUPAC Name: (3S)-9-[6-(methylamino)pyridin-2-yl]-3-quinoxalin-2-ylnonanoic acid Traditional Name: (3S)-9-[6-(methylamino)-2-pyridyl]-3-quinoxalin-2-yl-pelargonic acid Formula: C23H28N4O2 MolecularWeight: 392.49402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC(=N1)CCCCCCC(CC(=O)O)C2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CNC1=CC=CC(=N1)CCCCCC[C@@H](CC(=O)O)C2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C23H28N4O2/c1-24-22-14-8-11-18(26-22)10-5-3-2-4-9-17(15-23(28)29)21-16-25-19-12-6-7-13-20(19)27-21/h6-8,11-14,16-17H,2-5,9-10,15H2,1H3,(H,24,26)(H,28,29)/t17-/m0/s1