[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-pent-2-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-pent-2-enoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C21H30O2 MolecularWeight: 314.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(=O)OC1CC(CCC1C(C)(C)C2=CC=CC=C2)C

Isomeric SMILES

CC/C=C/C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)(C)C2=CC=CC=C2)C

InChI

InChI=1S/C21H30O2/c1-5-6-12-20(22)23-19-15-16(2)13-14-18(19)21(3,4)17-10-8-7-9-11-17/h6-12,16,18-19H,5,13-15H2,1-4H3/b12-6+/t16-,18-,19-/m1/s1