[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2R)-2-oxidanyl-4-phenyl-pent-4-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2R)-2-oxidanyl-4-phenyl-pent-4-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2R)-2-hydroxy-4-phenyl-pent-4-enoate CAS Name: (2R)-2-hydroxy-4-phenyl-4-pentenoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxy-4-phenylpent-4-enoate Traditional Name: (2R)-2-hydroxy-4-phenyl-pent-4-enoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O3/c1-14(2)18-11-10-15(3)12-20(18)24-21(23)19(22)13-16(4)17-8-6-5-7-9-17/h5-9,14-15,18-20,22H,4,10-13H2,1-3H3/t15-,18+,19-,20-/m1/s1