3-[2-[4-(6-chloranylquinoxalin-2-yl)oxyphenoxy]propanoylamino]propanoic acid

Systemtic Name: 3-[2-[4-(6-chloranylquinoxalin-2-yl)oxyphenoxy]propanoylamino]propanoic acid Openeye Name: 3-[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]propanoic acid CAS Name: 3-[[2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]propanoic acid Traditional Name: 3-[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]propionic acid Formula: C20H18ClN3O5 MolecularWeight: 415.82702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl

Isomeric SMILES

CC(C(=O)NCCC(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl

InChI

InChI=1S/C20H18ClN3O5/c1-12(20(27)22-9-8-19(25)26)28-14-3-5-15(6-4-14)29-18-11-23-17-10-13(21)2-7-16(17)24-18/h2-7,10-12H,8-9H2,1H3,(H,22,27)(H,25,26)