4-[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: 4-[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: 4-[[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: 4-[[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: 4-[[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: 4-[[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)NCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O6/c1-2-16-11-18-21(12-20(16)35-14-22(30)26-10-6-9-23(31)32)34-13-19(24(18)33)25-28-27-15-29(25)17-7-4-3-5-8-17/h3-5,7-8,11-13,15H,2,6,9-10,14H2,1H3,(H2,26,30,31,32)/p+1