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

Systemtic Name: 4-[2-[4-(6-chloranylquinoxalin-2-yl)oxyphenoxy]propanoylamino]butanoic acid Openeye Name: 4-[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]butanoic acid CAS Name: 4-[[2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]butanoic acid Traditional Name: 4-[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]butyric acid Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O5/c1-13(21(28)23-10-2-3-20(26)27)29-15-5-7-16(8-6-15)30-19-12-24-18-11-14(22)4-9-17(18)25-19/h4-9,11-13H,2-3,10H2,1H3,(H,23,28)(H,26,27)