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

Systemtic Name: (4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (4-butyl-6-chloro-2-oxo-chromen-7-yl) (2S)-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-2-[[(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) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(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)C(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)[C@H](C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H26ClNO6/c1-6-7-8-13-9-18(24)27-16-11-17(15(22)10-14(13)16)28-19(25)12(2)23-20(26)29-21(3,4)5/h9-12H,6-8H2,1-5H3,(H,23,26)/t12-/m0/s1