3-phenyl-2-[[5,6,7-tris(oxidanyl)-4-oxidanylidene-2-phenyl-chromen-8-yl]methylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[[5,6,7-tris(oxidanyl)-4-oxidanylidene-2-phenyl-chromen-8-yl]methylamino]propanoic acid Openeye Name: 3-phenyl-2-[(5,6,7-trihydroxy-4-oxo-2-phenyl-chromen-8-yl)methylamino]propanoic acid CAS Name: 3-phenyl-2-[(5,6,7-trihydroxy-4-oxo-2-phenyl-1-benzopyran-8-yl)methylamino]propanoic acid IUPAC Name: 3-phenyl-2-[(5,6,7-trihydroxy-4-oxo-2-phenylchromen-8-yl)methylamino]propanoic acid Traditional Name: 3-phenyl-2-[(5,6,7-trihydroxy-4-keto-2-phenyl-chromen-8-yl)methylamino]propionic acid Formula: C25H21NO7 MolecularWeight: 447.43674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NCC2=C(C(=C(C3=C2OC(=CC3=O)C4=CC=CC=C4)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NCC2=C(C(=C(C3=C2OC(=CC3=O)C4=CC=CC=C4)O)O)O

InChI

InChI=1S/C25H21NO7/c27-18-12-19(15-9-5-2-6-10-15)33-24-16(21(28)23(30)22(29)20(18)24)13-26-17(25(31)32)11-14-7-3-1-4-8-14/h1-10,12,17,26,28-30H,11,13H2,(H,31,32)