ditert-butyl 4-isocyanato-4-[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]heptanedioate

Systemtic Name: ditert-butyl 4-isocyanato-4-[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]heptanedioate Openeye Name: ditert-butyl 4-(2-tert-butoxy-1-methyl-2-oxo-ethyl)-4-isocyanato-heptanedioate CAS Name: 4-isocyanato-4-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-isocyanato-4-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]heptanedioate Traditional Name: 4-(2-tert-butoxy-2-keto-1-methyl-ethyl)-4-isocyanato-pimelic acid ditert-butyl ester Formula: C23H39NO7 MolecularWeight: 441.55826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)C(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)N=C=O

Isomeric SMILES

CC(C(=O)OC(C)(C)C)C(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)N=C=O

InChI

InChI=1S/C23H39NO7/c1-16(19(28)31-22(8,9)10)23(24-15-25,13-11-17(26)29-20(2,3)4)14-12-18(27)30-21(5,6)7/h16H,11-14H2,1-10H3