3-[6-(6-azanylhex-1-ynyl)-4-methyl-3,8-bis(oxidanylidene)-2,7-dihydroquinoxalin-1-yl]propanoic acid

Systemtic Name: 3-[6-(6-azanylhex-1-ynyl)-4-methyl-3,8-bis(oxidanylidene)-2,7-dihydroquinoxalin-1-yl]propanoic acid Openeye Name: 3-[6-(6-aminohex-1-ynyl)-4-methyl-3,8-dioxo-2,7-dihydroquinoxalin-1-yl]propanoic acid CAS Name: 3-[6-(6-aminohex-1-ynyl)-4-methyl-3,8-dioxo-2,7-dihydroquinoxalin-1-yl]propanoic acid IUPAC Name: 3-[6-(6-aminohex-1-ynyl)-4-methyl-3,8-dioxo-2,7-dihydroquinoxalin-1-yl]propanoic acid Traditional Name: 3-[6-(6-aminohex-1-ynyl)-3,8-diketo-4-methyl-2,7-dihydroquinoxalin-1-yl]propionic acid Formula: C18H23N3O4 MolecularWeight: 345.39292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN(C2=C1C=C(CC2=O)C#CCCCCN)CCC(=O)O

Isomeric SMILES

CN1C(=O)CN(C2=C1C=C(CC2=O)C#CCCCCN)CCC(=O)O

InChI

InChI=1S/C18H23N3O4/c1-20-14-10-13(6-4-2-3-5-8-19)11-15(22)18(14)21(12-16(20)23)9-7-17(24)25/h10H,2-3,5,7-9,11-12,19H2,1H3,(H,24,25)