[(E)-butan-2-ylideneamino] N-[(5-isocyanato-1,3,3-trimethyl-cyclohexyl)methyl]carbamate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NOC(=O)NCC1(CC(CC(C1)(C)C)N=C=O)C)C

Isomeric SMILES

CC/C(=N/OC(=O)NCC1(CC(CC(C1)(C)C)N=C=O)C)/C

InChI

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