(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic 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:

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

Isomeric SMILES

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

InChI

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