[(2S)-1-[(3S,6R)-6-methyl-3-propan-2-yl-cyclohexen-1-yl]but-3-yn-2-yl] 2,2-dimethylpropanoate

Systemtic Name: [(2S)-1-[(3S,6R)-6-methyl-3-propan-2-yl-cyclohexen-1-yl]but-3-yn-2-yl] 2,2-dimethylpropanoate Openeye Name: [(1S)-1-[[(3S,6R)-3-isopropyl-6-methyl-cyclohexen-1-yl]methyl]prop-2-ynyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2S)-1-[(3S,6R)-6-methyl-3-propan-2-yl-1-cyclohexenyl]but-3-yn-2-yl] ester IUPAC Name: [(2S)-1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]but-3-yn-2-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1S)-1-[[(3S,6R)-3-isopropyl-6-methyl-cyclohexen-1-yl]methyl]prop-2-ynyl] ester Formula: C19H30O2 MolecularWeight: 290.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C=C1CC(C#C)OC(=O)C(C)(C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H](C=C1C[C@@H](C#C)OC(=O)C(C)(C)C)C(C)C

InChI

InChI=1S/C19H30O2/c1-8-17(21-18(20)19(5,6)7)12-16-11-15(13(2)3)10-9-14(16)4/h1,11,13-15,17H,9-10,12H2,2-7H3/t14-,15-,17-/m1/s1