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

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 3-methyl-2-(p-anisoylamino)butyric acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C23H22BrNO6 MolecularWeight: 488.32788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)Br)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)Br)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H22BrNO6/c1-13(2)21(25-22(27)14-4-7-17(29-3)8-5-14)23(28)30-12-15-10-20(26)31-19-11-16(24)6-9-18(15)19/h4-11,13,21H,12H2,1-3H3,(H,25,27)