methyl (2S,6S)-6-chloranyl-1-cyano-2-phenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (2S,6S)-6-chloranyl-1-cyano-2-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (2S,6S)-6-chloro-1-cyano-2-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: (2S,6S)-6-chloro-1-cyano-2-phenyl-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (2S,6S)-6-chloro-1-cyano-2-phenylcyclohex-3-ene-1-carboxylate Traditional Name: (2S,6S)-6-chloro-1-cyano-2-phenyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C15H14ClNO2 MolecularWeight: 275.73016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CC=CC1C2=CC=CC=C2)Cl)C#N

Isomeric SMILES

COC(=O)C1([C@H](CC=C[C@H]1C2=CC=CC=C2)Cl)C#N

InChI

InChI=1S/C15H14ClNO2/c1-19-14(18)15(10-17)12(8-5-9-13(15)16)11-6-3-2-4-7-11/h2-8,12-13H,9H2,1H3/t12-,13-,15?/m0/s1