methyl (2S,6R)-1-cyano-6-iodanyl-2-(4-methoxyphenyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (2S,6R)-1-cyano-6-iodanyl-2-(4-methoxyphenyl)cyclohex-3-ene-1-carboxylate Openeye Name: methyl (2S,6R)-1-cyano-6-iodo-2-(4-methoxyphenyl)cyclohex-3-ene-1-carboxylate CAS Name: (2S,6R)-1-cyano-6-iodo-2-(4-methoxyphenyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (2S,6R)-1-cyano-6-iodo-2-(4-methoxyphenyl)cyclohex-3-ene-1-carboxylate Traditional Name: (2S,6R)-1-cyano-6-iodo-2-(4-methoxyphenyl)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C16H16INO3 MolecularWeight: 397.20761

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=CCC(C2(C#N)C(=O)OC)I

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C=CC[C@H](C2(C#N)C(=O)OC)I

InChI

InChI=1S/C16H16INO3/c1-20-12-8-6-11(7-9-12)13-4-3-5-14(17)16(13,10-18)15(19)21-2/h3-4,6-9,13-14H,5H2,1-2H3/t13-,14+,16?/m0/s1