ditert-butyl 4-isocyanato-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]heptanedioate

Systemtic Name: ditert-butyl 4-isocyanato-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]heptanedioate Openeye Name: ditert-butyl 4-(3-tert-butoxy-3-oxo-propyl)-4-isocyanato-heptanedioate CAS Name: 4-isocyanato-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-isocyanato-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate Traditional Name: 4-(3-tert-butoxy-3-keto-propyl)-4-isocyanato-pimelic acid ditert-butyl ester Formula: C23H39NO7 MolecularWeight: 441.55826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39NO7/c1-20(2,3)29-17(26)10-13-23(24-16-25,14-11-18(27)30-21(4,5)6)15-12-19(28)31-22(7,8)9/h10-15H2,1-9H3