methyl 6-[(1S,2S)-2-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4,4-dimethyl-6-oxidanylidene-cyclohexyl]-6-oxidanylidene-hexanoate

Systemtic Name: methyl 6-[(1S,2S)-2-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4,4-dimethyl-6-oxidanylidene-cyclohexyl]-6-oxidanylidene-hexanoate Openeye Name: methyl 6-[(1S,2S)-2-(1-cyano-2-ethoxy-2-oxo-ethyl)-4,4-dimethyl-6-oxo-cyclohexyl]-6-oxo-hexanoate CAS Name: 6-[(1S,2S)-2-(1-cyano-2-ethoxy-2-oxoethyl)-4,4-dimethyl-6-oxocyclohexyl]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-[(1S,2S)-2-(1-cyano-2-ethoxy-2-oxoethyl)-4,4-dimethyl-6-oxocyclohexyl]-6-oxohexanoate Traditional Name: 6-[(1S,2S)-2-(1-cyano-2-ethoxy-2-keto-ethyl)-6-keto-4,4-dimethyl-cyclohexyl]-6-keto-hexanoic acid methyl ester Formula: C20H29NO6 MolecularWeight: 379.44736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1CC(CC(=O)C1C(=O)CCCCC(=O)OC)(C)C

Isomeric SMILES

CCOC(=O)C(C#N)[C@H]1CC(CC(=O)[C@@H]1C(=O)CCCCC(=O)OC)(C)C

InChI

InChI=1S/C20H29NO6/c1-5-27-19(25)14(12-21)13-10-20(2,3)11-16(23)18(13)15(22)8-6-7-9-17(24)26-4/h13-14,18H,5-11H2,1-4H3/t13-,14?,18+/m1/s1