methyl (1R,2R,3R)-2-[2-(2-cyano-3-methyl-5-propan-2-yl-phenyl)ethyl]-3-ethenyl-1,3-dimethyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2R,3R)-2-[2-(2-cyano-3-methyl-5-propan-2-yl-phenyl)ethyl]-3-ethenyl-1,3-dimethyl-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2R,3R)-2-[2-(2-cyano-5-isopropyl-3-methyl-phenyl)ethyl]-1,3-dimethyl-3-vinyl-cyclohexanecarboxylate CAS Name: (1R,2R,3R)-2-[2-(2-cyano-3-methyl-5-propan-2-ylphenyl)ethyl]-3-ethenyl-1,3-dimethyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R,3R)-2-[2-(2-cyano-3-methyl-5-propan-2-ylphenyl)ethyl]-3-ethenyl-1,3-dimethylcyclohexane-1-carboxylate Traditional Name: (1R,2R,3R)-2-[2-(2-cyano-5-isopropyl-3-methyl-phenyl)ethyl]-1,3-dimethyl-3-vinyl-cyclohexanecarboxylic acid methyl ester Formula: C25H35NO2 MolecularWeight: 381.5509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C)C)CCC2C(CCCC2(C)C(=O)OC)(C)C=C)C#N

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C)C)CC[C@@H]2[C@@](CCC[C@@]2(C)C(=O)OC)(C)C=C)C#N

InChI

InChI=1S/C25H35NO2/c1-8-24(5)12-9-13-25(6,23(27)28-7)22(24)11-10-19-15-20(17(2)3)14-18(4)21(19)16-26/h8,14-15,17,22H,1,9-13H2,2-7H3/t22-,24+,25-/m1/s1