2-[2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(2-oxo-4-propyl-chromen-7-yl)oxyacetyl]amino]propanoic acid CAS Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[1-oxo-2-[(2-oxo-4-propyl-1-benzopyran-7-yl)oxy]ethyl]amino]propanoic acid IUPAC Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(2-keto-4-propyl-chromen-7-yl)oxyacetyl]amino]propionic acid Formula: C25H24N2O7 MolecularWeight: 464.46726

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

InChI

InChI=1S/C25H24N2O7/c1-2-3-14-9-24(30)34-22-11-17(5-6-18(14)22)33-13-23(29)27-21(25(31)32)8-15-12-26-20-7-4-16(28)10-19(15)20/h4-7,9-12,21,26,28H,2-3,8,13H2,1H3,(H,27,29)(H,31,32)