4-[[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]benzoate

Systemtic Name: 4-[[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]benzoate Openeye Name: 4-[[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]methyl]benzoate CAS Name: 4-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzoate IUPAC Name: 4-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzoate Traditional Name: 4-[[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]methyl]benzoate Formula: C18H25O3- MolecularWeight: 289.3893

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC2=CC=C(C=C2)C(=O)[O-])C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OCC2=CC=C(C=C2)C(=O)[O-])C(C)C

InChI

InChI=1S/C18H26O3/c1-12(2)16-9-4-13(3)10-17(16)21-11-14-5-7-15(8-6-14)18(19)20/h5-8,12-13,16-17H,4,9-11H2,1-3H3,(H,19,20)/p-1/t13-,16+,17-/m0/s1