[(E)-butan-2-ylideneamino] N-[3-(isocyanatomethyl)-3,5,5-trimethyl-cyclohexyl]carbamate

Systemtic Name: [(E)-butan-2-ylideneamino] N-[3-(isocyanatomethyl)-3,5,5-trimethyl-cyclohexyl]carbamate Openeye Name: [(E)-1-methylpropylideneamino] N-[3-(isocyanatomethyl)-3,5,5-trimethyl-cyclohexyl]carbamate CAS Name: N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]carbamic acid [(E)-butan-2-ylideneamino] ester IUPAC Name: [(E)-butan-2-ylideneamino] N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]carbamate Traditional Name: N-[3-(isocyanatomethyl)-3,5,5-trimethyl-cyclohexyl]carbamic acid [(E)-1-methylpropylideneamino] ester Formula: C16H27N3O3 MolecularWeight: 309.40388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NOC(=O)NC1CC(CC(C1)(C)CN=C=O)(C)C)C

Isomeric SMILES

CC/C(=N/OC(=O)NC1CC(CC(C1)(C)CN=C=O)(C)C)/C

InChI

InChI=1S/C16H27N3O3/c1-6-12(2)19-22-14(21)18-13-7-15(3,4)9-16(5,8-13)10-17-11-20/h13H,6-10H2,1-5H3,(H,18,21)/b19-12+