(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C24H25NO6 MolecularWeight: 423.4584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C24H25NO6/c1-24(2,3)17-6-4-15(5-7-17)23(29)25-11-10-21(27)30-14-16-12-22(28)31-20-13-18(26)8-9-19(16)20/h4-9,12-13,26H,10-11,14H2,1-3H3,(H,25,29)