[(1R,2S)-2-[2-(4-phenoxyphenyl)propan-2-yl]cyclohexyl] (E)-but-2-enoate

Systemtic Name: [(1R,2S)-2-[2-(4-phenoxyphenyl)propan-2-yl]cyclohexyl] (E)-but-2-enoate Openeye Name: [(1R,2S)-2-[1-methyl-1-(4-phenoxyphenyl)ethyl]cyclohexyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [(1R,2S)-2-[2-(4-phenoxyphenyl)propan-2-yl]cyclohexyl] ester IUPAC Name: [(1R,2S)-2-[2-(4-phenoxyphenyl)propan-2-yl]cyclohexyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [(1R,2S)-2-[1-methyl-1-(4-phenoxyphenyl)ethyl]cyclohexyl] ester Formula: C25H30O3 MolecularWeight: 378.5039

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OC1CCCCC1C(C)(C)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C/C=C/C(=O)O[C@@H]1CCCC[C@H]1C(C)(C)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H30O3/c1-4-10-24(26)28-23-14-9-8-13-22(23)25(2,3)19-15-17-21(18-16-19)27-20-11-6-5-7-12-20/h4-7,10-12,15-18,22-23H,8-9,13-14H2,1-3H3/b10-4+/t22-,23-/m1/s1