[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-oxidanylpent-4-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-oxidanylpent-4-enoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2S)-2-hydroxypent-4-enoate CAS Name: (2S)-2-hydroxy-4-pentenoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-hydroxypent-4-enoate Traditional Name: (2S)-2-hydroxypent-4-enoic acid [(1R,2S,5R)-2-cumyl-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)O)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

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