[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (5S)-5-oxidanyl-5-phenyl-pentanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (5S)-5-oxidanyl-5-phenyl-pentanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (5S)-5-hydroxy-5-phenyl-pentanoate CAS Name: (5S)-5-hydroxy-5-phenylpentanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (5S)-5-hydroxy-5-phenylpentanoate Traditional Name: (5S)-5-hydroxy-5-phenyl-valeric acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H32O3 MolecularWeight: 332.47698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CCCC(C2=CC=CC=C2)O)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CCC[C@@H](C2=CC=CC=C2)O)C(C)C

InChI

InChI=1S/C21H32O3/c1-15(2)18-13-12-16(3)14-20(18)24-21(23)11-7-10-19(22)17-8-5-4-6-9-17/h4-6,8-9,15-16,18-20,22H,7,10-14H2,1-3H3/t16-,18+,19+,20-/m1/s1