2-[[3-(4-fluoranylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-(4-fluoranylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-(4-fluorophenoxy)-7-hydroxy-4-oxo-chromen-8-yl]methylamino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(4-fluorophenoxy)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-(4-fluorophenoxy)-7-hydroxy-4-oxochromen-8-yl]methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(4-fluorophenoxy)-7-hydroxy-4-keto-chromen-8-yl]methylamino]-3-phenyl-propionic acid Formula: C25H20FNO6 MolecularWeight: 449.427803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NCC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)F)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NCC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)F)O

InChI

InChI=1S/C25H20FNO6/c26-16-6-8-17(9-7-16)33-22-14-32-24-18(23(22)29)10-11-21(28)19(24)13-27-20(25(30)31)12-15-4-2-1-3-5-15/h1-11,14,20,27-28H,12-13H2,(H,30,31)