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

Systemtic Name: (6-chloranyl-4-ethyl-2-oxidanylidene-chromen-7-yl) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: (6-chloro-4-ethyl-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-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-ethyl-2-oxochromen-7-yl) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-methyl-valeric acid (6-chloro-4-ethyl-2-keto-chromen-7-yl) ester Formula: C22H28ClNO6 MolecularWeight: 437.91382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C(C)CC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C(C)CC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H28ClNO6/c1-7-12(3)19(24-21(27)30-22(4,5)6)20(26)29-17-11-16-14(10-15(17)23)13(8-2)9-18(25)28-16/h9-12,19H,7-8H2,1-6H3,(H,24,27)