(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C23H22BrNO5 MolecularWeight: 472.32848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C23H22BrNO5/c1-13(2)21(25-22(27)15-6-4-14(3)5-7-15)23(28)29-12-16-10-20(26)30-19-11-17(24)8-9-18(16)19/h4-11,13,21H,12H2,1-3H3,(H,25,27)