1,3-bis[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]urea

Systemtic Name: 1,3-bis[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]urea Openeye Name: 1,3-bis[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]urea CAS Name: 1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]urea IUPAC Name: 1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]urea Traditional Name: 1,3-bis[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]urea Formula: C23H38N4O3 MolecularWeight: 418.57282

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)CNC(=O)NCC2(CC(CC(C2)(C)C)N=C=O)C)N=C=O)C

Isomeric SMILES

CC1(CC(CC(C1)(C)CNC(=O)NCC2(CC(CC(C2)(C)C)N=C=O)C)N=C=O)C

InChI

InChI=1S/C23H38N4O3/c1-20(2)7-17(26-15-28)9-22(5,11-20)13-24-19(30)25-14-23(6)10-18(27-16-29)8-21(3,4)12-23/h17-18H,7-14H2,1-6H3,(H2,24,25,30)