3-[3-(azepan-1-yl)quinoxalin-2-yl]propanoic acid

Systemtic Name: 3-[3-(azepan-1-yl)quinoxalin-2-yl]propanoic acid Openeye Name: 3-[3-(azepan-1-yl)quinoxalin-2-yl]propanoic acid CAS Name: 3-[3-(1-azepanyl)-2-quinoxalinyl]propanoic acid IUPAC Name: 3-[3-(azepan-1-yl)quinoxalin-2-yl]propanoic acid Traditional Name: 3-[3-(azepan-1-yl)quinoxalin-2-yl]propionic acid Formula: C17H21N3O2 MolecularWeight: 299.36754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC3=CC=CC=C3N=C2CCC(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=NC3=CC=CC=C3N=C2CCC(=O)O

InChI

InChI=1S/C17H21N3O2/c21-16(22)10-9-15-17(20-11-5-1-2-6-12-20)19-14-8-4-3-7-13(14)18-15/h3-4,7-8H,1-2,5-6,9-12H2,(H,21,22)