2-[3-(isocyanatomethyl)-3,5,5-trimethyl-cyclohexyl]-3,5,5-trimethyl-cyclohex-2-en-1-one

Systemtic Name: 2-[3-(isocyanatomethyl)-3,5,5-trimethyl-cyclohexyl]-3,5,5-trimethyl-cyclohex-2-en-1-one Openeye Name: 2-[3-(isocyanatomethyl)-3,5,5-trimethyl-cyclohexyl]-3,5,5-trimethyl-cyclohex-2-en-1-one CAS Name: 2-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]-3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: 2-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]-3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: 2-[3-(isocyanatomethyl)-3,5,5-trimethyl-cyclohexyl]-3,5,5-trimethyl-cyclohex-2-en-1-one Formula: C20H31NO2 MolecularWeight: 317.46564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)CC(C1)(C)C)C2CC(CC(C2)(C)CN=C=O)(C)C

Isomeric SMILES

CC1=C(C(=O)CC(C1)(C)C)C2CC(CC(C2)(C)CN=C=O)(C)C

InChI

InChI=1S/C20H31NO2/c1-14-7-18(2,3)10-16(23)17(14)15-8-19(4,5)11-20(6,9-15)12-21-13-22/h15H,7-12H2,1-6H3