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

Systemtic Name: 2-[(2-methyl-7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methylamino]propanoic acid Openeye Name: 2-[(7-hydroxy-2-methyl-4-oxo-3-phenoxy-chromen-8-yl)methylamino]propanoic acid CAS Name: 2-[(7-hydroxy-2-methyl-4-oxo-3-phenoxy-1-benzopyran-8-yl)methylamino]propanoic acid IUPAC Name: 2-[(7-hydroxy-2-methyl-4-oxo-3-phenoxychromen-8-yl)methylamino]propanoic acid Traditional Name: 2-[(7-hydroxy-4-keto-2-methyl-3-phenoxy-chromen-8-yl)methylamino]propionic acid Formula: C20H19NO6 MolecularWeight: 369.36796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CNC(C)C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CNC(C)C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C20H19NO6/c1-11(20(24)25)21-10-15-16(22)9-8-14-17(23)18(12(2)26-19(14)15)27-13-6-4-3-5-7-13/h3-9,11,21-22H,10H2,1-2H3,(H,24,25)