1-[[(1S,2S,3R)-2-but-3-ynyl-2,3-dimethyl-cyclohexyl]oxymethyl]-4-methoxy-benzene

Systemtic Name: 1-[[(1S,2S,3R)-2-but-3-ynyl-2,3-dimethyl-cyclohexyl]oxymethyl]-4-methoxy-benzene Openeye Name: 1-[[(1S,2S,3R)-2-but-3-ynyl-2,3-dimethyl-cyclohexoxy]methyl]-4-methoxy-benzene CAS Name: 1-[[(1S,2S,3R)-2-but-3-ynyl-2,3-dimethylcyclohexyl]oxymethyl]-4-methoxybenzene IUPAC Name: 1-[[(1S,2S,3R)-2-but-3-ynyl-2,3-dimethylcyclohexyl]oxymethyl]-4-methoxybenzene Traditional Name: 1-[[(1S,2S,3R)-2-but-3-ynyl-2,3-dimethyl-cyclohexoxy]methyl]-4-methoxy-benzene Formula: C20H28O2 MolecularWeight: 300.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1(C)CCC#C)OCC2=CC=C(C=C2)OC

Isomeric SMILES

C[C@@H]1CCC[C@@H]([C@@]1(C)CCC#C)OCC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H28O2/c1-5-6-14-20(3)16(2)8-7-9-19(20)22-15-17-10-12-18(21-4)13-11-17/h1,10-13,16,19H,6-9,14-15H2,2-4H3/t16-,19+,20+/m1/s1