methyl (1R,5S)-6,6-dicyano-5-(4-methoxyphenyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1R,5S)-6,6-dicyano-5-(4-methoxyphenyl)cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1R,5S)-6,6-dicyano-5-(4-methoxyphenyl)cyclohex-3-ene-1-carboxylate CAS Name: (1R,5S)-6,6-dicyano-5-(4-methoxyphenyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-6,6-dicyano-5-(4-methoxyphenyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1R,5S)-6,6-dicyano-5-(4-methoxyphenyl)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C17H16N2O3 MolecularWeight: 296.32054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3/c1-21-13-8-6-12(7-9-13)14-4-3-5-15(16(20)22-2)17(14,10-18)11-19/h3-4,6-9,14-15H,5H2,1-2H3/t14-,15-/m0/s1