[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] N-[(2-iodanylphenyl)methyl]-N-propa-1,2-dienyl-carbamate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] N-[(2-iodanylphenyl)methyl]-N-propa-1,2-dienyl-carbamate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] N-[(2-iodophenyl)methyl]-N-propa-1,2-dienyl-carbamate CAS Name: N-[(2-iodophenyl)methyl]-N-propa-1,2-dienylcarbamic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(2-iodophenyl)methyl]-N-propa-1,2-dienylcarbamate Traditional Name: N-(2-iodobenzyl)-N-propa-1,2-dienyl-carbamic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H28INO2 MolecularWeight: 453.35699

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N(CC2=CC=CC=C2I)C=C=C)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(CC2=CC=CC=C2I)C=C=C)C(C)C

InChI

InChI=1S/C21H28INO2/c1-5-12-23(14-17-8-6-7-9-19(17)22)21(24)25-20-13-16(4)10-11-18(20)15(2)3/h6-9,12,15-16,18,20H,1,10-11,13-14H2,2-4H3/t16-,18+,20-/m0/s1