[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (1R,2E)-cycloundec-2-ene-1-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (1R,2E)-cycloundec-2-ene-1-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (1R,2E)-cycloundec-2-ene-1-carboxylate CAS Name: (1R,2E)-1-cycloundec-2-enecarboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2E)-cycloundec-2-ene-1-carboxylate Traditional Name: (1R,2E)-cycloundec-2-ene-1-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H38O2 MolecularWeight: 334.53592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2CCCCCCCCC=C2)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]\2CCCCCCCC/C=C2)C(C)C

InChI

InChI=1S/C22H38O2/c1-17(2)20-15-14-18(3)16-21(20)24-22(23)19-12-10-8-6-4-5-7-9-11-13-19/h10,12,17-21H,4-9,11,13-16H2,1-3H3/b12-10+/t18-,19+,20+,21-/m1/s1