[(3S)-3-[(E,2S)-2-cyano-4-methoxy-but-3-en-2-yl]-3-methyl-cyclohexen-1-yl] ethanoate

Systemtic Name: [(3S)-3-[(E,2S)-2-cyano-4-methoxy-but-3-en-2-yl]-3-methyl-cyclohexen-1-yl] ethanoate Openeye Name: [(3S)-3-[(E,1S)-1-cyano-3-methoxy-1-methyl-allyl]-3-methyl-cyclohexen-1-yl] acetate CAS Name: acetic acid [(3S)-3-[(E,2S)-2-cyano-4-methoxybut-3-en-2-yl]-3-methyl-1-cyclohexenyl] ester IUPAC Name: [(3S)-3-[(E,2S)-2-cyano-4-methoxybut-3-en-2-yl]-3-methylcyclohexen-1-yl] acetate Traditional Name: acetic acid [(3S)-3-[(E,1S)-1-cyano-3-methoxy-1-methyl-allyl]-3-methyl-cyclohexen-1-yl] ester Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(CCC1)(C)C(C)(C=COC)C#N

Isomeric SMILES

CC(=O)OC1=C[C@@](CCC1)(C)[C@](C)(/C=C/OC)C#N

InChI

InChI=1S/C15H21NO3/c1-12(17)19-13-6-5-7-14(2,10-13)15(3,11-16)8-9-18-4/h8-10H,5-7H2,1-4H3/b9-8+/t14-,15+/m0/s1