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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(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 (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: (2S)-2-[(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(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)O)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)O)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H25NO6/c1-14(25-22(28)15-5-7-17(8-6-15)24(2,3)4)23(29)30-13-16-11-21(27)31-20-12-18(26)9-10-19(16)20/h5-12,14,26H,13H2,1-4H3,(H,25,28)/t14-/m0/s1