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

Systemtic Name: [(6Z)-6-(cyanomethylidene)-2-(4,8-dimethyl-5-oxidanylidene-non-7-enyl)-2-methyl-oxepan-3-yl] ethanoate Openeye Name: [(6Z)-6-(cyanomethylene)-2-(4,8-dimethyl-5-oxo-non-7-enyl)-2-methyl-oxepan-3-yl] acetate CAS Name: acetic acid [(6Z)-6-(cyanomethylidene)-2-(4,8-dimethyl-5-oxonon-7-enyl)-2-methyl-3-oxepanyl] ester IUPAC Name: [(6Z)-6-(cyanomethylidene)-2-(4,8-dimethyl-5-oxonon-7-enyl)-2-methyloxepan-3-yl] acetate Traditional Name: acetic acid [(6Z)-6-(cyanomethylene)-2-(5-keto-4,8-dimethyl-non-7-enyl)-2-methyl-oxepan-3-yl] ester Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO4/c1-16(2)8-10-20(25)17(3)7-6-13-22(5)21(27-18(4)24)11-9-19(12-14-23)15-26-22/h8,12,17,21H,6-7,9-11,13,15H2,1-5H3/b19-12-