[9-[(6Z)-6-(cyanomethylidene)-2-methyl-3-oxidanylidene-oxepan-2-yl]-2,6-dimethyl-non-2-en-5-yl] ethanoate

Systemtic Name: [9-[(6Z)-6-(cyanomethylidene)-2-methyl-3-oxidanylidene-oxepan-2-yl]-2,6-dimethyl-non-2-en-5-yl] ethanoate Openeye Name: [1-[4-[(6Z)-6-(cyanomethylene)-2-methyl-3-oxo-oxepan-2-yl]-1-methyl-butyl]-4-methyl-pent-3-enyl] acetate CAS Name: acetic acid [9-[(6Z)-6-(cyanomethylidene)-2-methyl-3-oxo-2-oxepanyl]-2,6-dimethylnon-2-en-5-yl] ester IUPAC Name: [9-[(6Z)-6-(cyanomethylidene)-2-methyl-3-oxooxepan-2-yl]-2,6-dimethylnon-2-en-5-yl] acetate Traditional Name: acetic acid [1-[4-[(6Z)-6-(cyanomethylene)-3-keto-2-methyl-oxepan-2-yl]-1-methyl-butyl]-4-methyl-pent-3-enyl] ester Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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