methyl (1R,2S)-2-[(2-iodanyl-4-methyl-phenyl)-methyl-amino]cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2S)-2-[(2-iodanyl-4-methyl-phenyl)-methyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl (1R,2S)-2-(2-iodo-N,4-dimethyl-anilino)cyclohexanecarboxylate CAS Name: (1R,2S)-2-(2-iodo-N,4-dimethylanilino)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-(2-iodo-N,4-dimethylanilino)cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-(2-iodo-N,4-dimethyl-anilino)cyclohexanecarboxylic acid methyl ester Formula: C16H22INO2 MolecularWeight: 387.25585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C2CCCCC2C(=O)OC)I

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)[C@H]2CCCC[C@H]2C(=O)OC)I

InChI

InChI=1S/C16H22INO2/c1-11-8-9-15(13(17)10-11)18(2)14-7-5-4-6-12(14)16(19)20-3/h8-10,12,14H,4-7H2,1-3H3/t12-,14+/m1/s1