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

Systemtic Name: 6-[2-[6-ethyl-4-oxidanylidene-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl]oxyethanoylamino]hexanoic acid Openeye Name: 6-[[2-[6-ethyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl]oxyacetyl]amino]hexanoic acid CAS Name: 6-[[2-[[6-ethyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-[6-ethyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl]oxyacetyl]amino]hexanoic acid Traditional Name: 6-[[2-[6-ethyl-4-keto-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl]oxyacetyl]amino]hexanoic acid Formula: C27H28N4O6 MolecularWeight: 504.53442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NN=CN3C4=CC=CC=C4)OCC(=O)NCCCCCC(=O)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NN=CN3C4=CC=CC=C4)OCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C27H28N4O6/c1-2-18-13-20-23(14-22(18)37-16-24(32)28-12-8-4-7-11-25(33)34)36-15-21(26(20)35)27-30-29-17-31(27)19-9-5-3-6-10-19/h3,5-6,9-10,13-15,17H,2,4,7-8,11-12,16H2,1H3,(H,28,32)(H,33,34)