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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-5-oxidanylpent-2-enoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (E)-5-hydroxypent-2-enoate CAS Name: (E)-5-hydroxy-2-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] (E)-5-hydroxypent-2-enoate Traditional Name: (E)-5-hydroxypent-2-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=CCCO)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H30O3/c1-16-12-13-18(21(2,3)17-9-5-4-6-10-17)19(15-16)24-20(23)11-7-8-14-22/h4-7,9-11,16,18-19,22H,8,12-15H2,1-3H3/b11-7+/t16-,18-,19-/m1/s1