2-[2-[6-ethyl-4-oxidanylidene-3-(4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)chromen-7-yl]oxyethanoylamino]butanoic acid

Systemtic Name: 2-[2-[6-ethyl-4-oxidanylidene-3-(4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)chromen-7-yl]oxyethanoylamino]butanoic acid Openeye Name: 2-[[2-[6-ethyl-4-oxo-3-(4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)chromen-7-yl]oxyacetyl]amino]butanoic acid CAS Name: 2-[[2-[[6-ethyl-4-oxo-3-(4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]butanoic acid IUPAC Name: 2-[[2-[6-ethyl-4-oxo-3-(4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)chromen-7-yl]oxyacetyl]amino]butanoic acid Traditional Name: 2-[[2-[6-ethyl-4-keto-3-(4-phenyl-1H-1,2,4-triazol-4-ium-5-yl)chromen-7-yl]oxyacetyl]amino]butyric acid Formula: C25H25N4O6+ MolecularWeight: 477.4892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=[N+](C=NN3)C4=CC=CC=C4)OCC(=O)NC(CC)C(=O)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=[N+](C=NN3)C4=CC=CC=C4)OCC(=O)NC(CC)C(=O)O

InChI

InChI=1S/C25H24N4O6/c1-3-15-10-17-21(11-20(15)35-13-22(30)27-19(4-2)25(32)33)34-12-18(23(17)31)24-28-26-14-29(24)16-8-6-5-7-9-16/h5-12,14,19H,3-4,13H2,1-2H3,(H2,27,30,32,33)/p+1