2-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid CAS Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[1-oxo-2-[(2-oxo-1-benzopyran-7-yl)oxy]ethyl]amino]propanoic acid IUPAC Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(2-ketochromen-7-yl)oxyacetyl]amino]propionic acid Formula: C22H18N2O7 MolecularWeight: 422.38752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=O)O2)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=O)O2)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

InChI

InChI=1S/C22H18N2O7/c25-14-3-5-17-16(8-14)13(10-23-17)7-18(22(28)29)24-20(26)11-30-15-4-1-12-2-6-21(27)31-19(12)9-15/h1-6,8-10,18,23,25H,7,11H2,(H,24,26)(H,28,29)