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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=C(C=C2)OC(=O)CCNC(=O)OC(C)(C)C)OC1=O)C

Isomeric SMILES

CCCC1=C(C2=C(C=C(C=C2)OC(=O)CCNC(=O)OC(C)(C)C)OC1=O)C

InChI

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