(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (4-butyl-6-chloro-2-oxo-chromen-7-yl) 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-6-chloro-2-oxochromen-7-yl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid (4-butyl-6-chloro-2-keto-chromen-7-yl) ester Formula: C21H26ClNO6 MolecularWeight: 423.88724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H26ClNO6/c1-5-6-7-13-10-19(25)27-16-12-17(15(22)11-14(13)16)28-18(24)8-9-23-20(26)29-21(2,3)4/h10-12H,5-9H2,1-4H3,(H,23,26)