[2-oxidanyl-5-[3,5,7-tris(oxidanyl)-4-oxidanylidene-chromen-2-yl]phenyl] 4-azanylbutanoate

Systemtic Name: [2-oxidanyl-5-[3,5,7-tris(oxidanyl)-4-oxidanylidene-chromen-2-yl]phenyl] 4-azanylbutanoate Openeye Name: [2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-chromen-2-yl)phenyl] 4-aminobutanoate CAS Name: 4-aminobutanoic acid [2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-1-benzopyran-2-yl)phenyl] ester IUPAC Name: [2-hydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenyl] 4-aminobutanoate Traditional Name: 4-aminobutyric acid [2-hydroxy-5-(3,5,7-trihydroxy-4-keto-chromen-2-yl)phenyl] ester Formula: C19H17NO8 MolecularWeight: 387.34018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OC(=O)CCCN)O

Isomeric SMILES

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OC(=O)CCCN)O

InChI

InChI=1S/C19H17NO8/c20-5-1-2-15(24)27-13-6-9(3-4-11(13)22)19-18(26)17(25)16-12(23)7-10(21)8-14(16)28-19/h3-4,6-8,21-23,26H,1-2,5,20H2