(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate CAS Name: 4,5-dimethoxy-2-[(2-methyl-1-oxopropyl)amino]benzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Traditional Name: 2-(isobutyrylamino)-4,5-dimethoxy-benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C25H27NO7 MolecularWeight: 453.48438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3NC(=O)C(C)C)OC)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3NC(=O)C(C)C)OC)OC)C

InChI

InChI=1S/C25H27NO7/c1-13(2)24(28)26-19-11-21(31-6)20(30-5)10-18(19)25(29)32-12-16-9-22(27)33-23-15(4)14(3)7-8-17(16)23/h7-11,13H,12H2,1-6H3,(H,26,28)