(1R,6S)-1-cyano-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-1-cyano-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-1-cyano-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-1-cyano-3,4-dimethyl-6-phenyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-1-cyano-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-1-cyano-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carboxylic acid Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C2=CC=CC=C2)(C#N)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@@]([C@@H](C1)C2=CC=CC=C2)(C#N)C(=O)O)C

InChI

InChI=1S/C16H17NO2/c1-11-8-14(13-6-4-3-5-7-13)16(10-17,15(18)19)9-12(11)2/h3-7,14H,8-9H2,1-2H3,(H,18,19)/t14-,16-/m0/s1