[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 6-methyl-3-oxidanylidene-2-prop-2-enyl-hept-6-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 6-methyl-3-oxidanylidene-2-prop-2-enyl-hept-6-enoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-allyl-6-methyl-3-oxo-hept-6-enoate CAS Name: 6-methyl-3-oxo-2-prop-2-enyl-6-heptenoic 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] 6-methyl-3-oxo-2-prop-2-enylhept-6-enoate Traditional Name: 2-allyl-3-keto-6-methyl-hept-6-enoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C27H38O3 MolecularWeight: 410.58882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38O3/c1-7-11-22(24(28)17-14-19(2)3)26(29)30-25-18-20(4)15-16-23(25)27(5,6)21-12-9-8-10-13-21/h7-10,12-13,20,22-23,25H,1-2,11,14-18H2,3-6H3/t20-,22?,23-,25-/m1/s1