(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 4-(tert-butoxycarbonylamino)benzoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 4-(tert-butoxycarbonylamino)benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C22H21NO7/c1-22(2,3)30-21(27)23-15-6-4-13(5-7-15)20(26)28-12-14-10-19(25)29-18-11-16(24)8-9-17(14)18/h4-11,24H,12H2,1-3H3,(H,23,27)