(4-butyl-2-oxidanylidene-chromen-7-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (4-butyl-2-oxidanylidene-chromen-7-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (4-butyl-2-oxo-chromen-7-yl) 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (4-butyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-2-oxochromen-7-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid (4-butyl-2-keto-chromen-7-yl) ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H27NO6/c1-5-6-7-14-12-19(24)27-17-13-15(8-9-16(14)17)26-18(23)10-11-22-20(25)28-21(2,3)4/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,22,25)