[(E,1S,2S)-1-acetyloxy-1-cyclohexyl-4-phenyl-but-3-en-2-yl] ethanoate

Systemtic Name: [(E,1S,2S)-1-acetyloxy-1-cyclohexyl-4-phenyl-but-3-en-2-yl] ethanoate Openeye Name: [(E,1S)-1-[(S)-acetoxy(cyclohexyl)methyl]-3-phenyl-allyl] acetate CAS Name: acetic acid [(E,1S,2S)-1-acetyloxy-1-cyclohexyl-4-phenylbut-3-en-2-yl] ester IUPAC Name: [(E,1S,2S)-1-acetyloxy-1-cyclohexyl-4-phenylbut-3-en-2-yl] acetate Traditional Name: acetic acid [(E,1S)-1-[(S)-acetoxy(cyclohexyl)methyl]-3-phenyl-allyl] ester Formula: C20H26O4 MolecularWeight: 330.41804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C=CC1=CC=CC=C1)C(C2CCCCC2)OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H](/C=C/C1=CC=CC=C1)[C@H](C2CCCCC2)OC(=O)C

InChI

InChI=1S/C20H26O4/c1-15(21)23-19(14-13-17-9-5-3-6-10-17)20(24-16(2)22)18-11-7-4-8-12-18/h3,5-6,9-10,13-14,18-20H,4,7-8,11-12H2,1-2H3/b14-13+/t19-,20-/m0/s1