4-[(5,8-dimethoxy-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-6-yl)methylamino]benzoic acid

Systemtic Name: 4-[(5,8-dimethoxy-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-6-yl)methylamino]benzoic acid Openeye Name: 4-[(7-hydroxy-5,8-dimethoxy-2-methyl-4-oxo-chromen-6-yl)methylamino]benzoic acid CAS Name: 4-[(7-hydroxy-5,8-dimethoxy-2-methyl-4-oxo-1-benzopyran-6-yl)methylamino]benzoic acid IUPAC Name: 4-[(7-hydroxy-5,8-dimethoxy-2-methyl-4-oxochromen-6-yl)methylamino]benzoic acid Traditional Name: 4-[(7-hydroxy-4-keto-5,8-dimethoxy-2-methyl-chromen-6-yl)methylamino]benzoic acid Formula: C20H19NO7 MolecularWeight: 385.36736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=C(O1)C(=C(C(=C2OC)CNC3=CC=C(C=C3)C(=O)O)O)OC

Isomeric SMILES

CC1=CC(=O)C2=C(O1)C(=C(C(=C2OC)CNC3=CC=C(C=C3)C(=O)O)O)OC

InChI

InChI=1S/C20H19NO7/c1-10-8-14(22)15-17(26-2)13(16(23)19(27-3)18(15)28-10)9-21-12-6-4-11(5-7-12)20(24)25/h4-8,21,23H,9H2,1-3H3,(H,24,25)