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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C)Cl)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C(C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C)Cl)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H26ClNO6/c1-7-11(2)18(23-20(26)29-21(4,5)6)19(25)28-16-10-15-13(9-14(16)22)12(3)8-17(24)27-15/h8-11,18H,7H2,1-6H3,(H,23,26)