[(6Z)-6-(cyanomethylidene)-2-methyl-2-(4,5,8-trimethyl-5-oxidanyl-non-7-enyl)oxepan-3-yl] ethanoate

Systemtic Name: [(6Z)-6-(cyanomethylidene)-2-methyl-2-(4,5,8-trimethyl-5-oxidanyl-non-7-enyl)oxepan-3-yl] ethanoate Openeye Name: [(6Z)-6-(cyanomethylene)-2-(5-hydroxy-4,5,8-trimethyl-non-7-enyl)-2-methyl-oxepan-3-yl] acetate CAS Name: acetic acid [(6Z)-6-(cyanomethylidene)-2-(5-hydroxy-4,5,8-trimethylnon-7-enyl)-2-methyl-3-oxepanyl] ester IUPAC Name: [(6Z)-6-(cyanomethylidene)-2-(5-hydroxy-4,5,8-trimethylnon-7-enyl)-2-methyloxepan-3-yl] acetate Traditional Name: acetic acid [(6Z)-6-(cyanomethylene)-2-(5-hydroxy-4,5,8-trimethyl-non-7-enyl)-2-methyl-oxepan-3-yl] ester Formula: C23H37NO4 MolecularWeight: 391.54418

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1(C(CCC(=CC#N)CO1)OC(=O)C)C)C(C)(CC=C(C)C)O

Isomeric SMILES

CC(CCCC1(C(CC/C(=C/C#N)/CO1)OC(=O)C)C)C(C)(CC=C(C)C)O

InChI

InChI=1S/C23H37NO4/c1-17(2)11-14-22(5,26)18(3)8-7-13-23(6)21(28-19(4)25)10-9-20(12-15-24)16-27-23/h11-12,18,21,26H,7-10,13-14,16H2,1-6H3/b20-12-