ethyl 6-[(1R,4R)-1-methyl-2-oxidanylidene-4-prop-1-en-2-yl-cyclohexyl]hex-2-ynoate

Systemtic Name: ethyl 6-[(1R,4R)-1-methyl-2-oxidanylidene-4-prop-1-en-2-yl-cyclohexyl]hex-2-ynoate Openeye Name: ethyl 6-[(1R,4R)-4-isopropenyl-1-methyl-2-oxo-cyclohexyl]hex-2-ynoate CAS Name: 6-[(1R,4R)-1-methyl-4-(1-methylethenyl)-2-oxocyclohexyl]-2-hexynoic acid ethyl ester IUPAC Name: ethyl 6-[(1R,4R)-1-methyl-2-oxo-4-prop-1-en-2-ylcyclohexyl]hex-2-ynoate Traditional Name: 6-[(1R,4R)-4-isopropenyl-2-keto-1-methyl-cyclohexyl]hex-2-ynoic acid ethyl ester Formula: C18H26O3 MolecularWeight: 290.39724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CCCCC1(CCC(CC1=O)C(=C)C)C

Isomeric SMILES

CCOC(=O)C#CCCC[C@@]1(CC[C@H](CC1=O)C(=C)C)C

InChI

InChI=1S/C18H26O3/c1-5-21-17(20)9-7-6-8-11-18(4)12-10-15(14(2)3)13-16(18)19/h15H,2,5-6,8,10-13H2,1,3-4H3/t15-,18-/m1/s1