3-[6-ethyl-3-(1H-imidazol-5-yl)-7-oxidanyl-4-oxidanylidene-chromen-2-yl]propanoic acid

Systemtic Name: 3-[6-ethyl-3-(1H-imidazol-5-yl)-7-oxidanyl-4-oxidanylidene-chromen-2-yl]propanoic acid Openeye Name: 3-[6-ethyl-7-hydroxy-3-(1H-imidazol-5-yl)-4-oxo-chromen-2-yl]propanoic acid CAS Name: 3-[6-ethyl-7-hydroxy-3-(1H-imidazol-5-yl)-4-oxo-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[6-ethyl-7-hydroxy-3-(1H-imidazol-5-yl)-4-oxochromen-2-yl]propanoic acid Traditional Name: 3-[6-ethyl-7-hydroxy-3-(1H-imidazol-5-yl)-4-keto-chromen-2-yl]propionic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CCC(=O)O)C3=CN=CN3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CCC(=O)O)C3=CN=CN3)O

InChI

InChI=1S/C17H16N2O5/c1-2-9-5-10-14(6-12(9)20)24-13(3-4-15(21)22)16(17(10)23)11-7-18-8-19-11/h5-8,20H,2-4H2,1H3,(H,18,19)(H,21,22)