methyl (1R,2R,4S)-4-methoxy-4-methyl-2-prop-2-ynyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2R,4S)-4-methoxy-4-methyl-2-prop-2-ynyl-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2R,4S)-4-methoxy-4-methyl-2-prop-2-ynyl-cyclohexanecarboxylate CAS Name: (1R,2R,4S)-4-methoxy-4-methyl-2-prop-2-ynyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R,4S)-4-methoxy-4-methyl-2-prop-2-ynylcyclohexane-1-carboxylate Traditional Name: (1R,2R,4S)-4-methoxy-4-methyl-2-propargyl-cyclohexanecarboxylic acid methyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C(C1)CC#C)C(=O)OC)OC

Isomeric SMILES

C[C@@]1(CC[C@H]([C@@H](C1)CC#C)C(=O)OC)OC

InChI

InChI=1S/C13H20O3/c1-5-6-10-9-13(2,16-4)8-7-11(10)12(14)15-3/h1,10-11H,6-9H2,2-4H3/t10-,11-,13+/m1/s1