[(1R,2R,5R)-2-methyl-5-(2-phenylpropan-2-yl)cyclohexyl] oct-7-en-2-ynoate

Systemtic Name: [(1R,2R,5R)-2-methyl-5-(2-phenylpropan-2-yl)cyclohexyl] oct-7-en-2-ynoate Openeye Name: [(1R,2R,5R)-2-methyl-5-(1-methyl-1-phenyl-ethyl)cyclohexyl] oct-7-en-2-ynoate CAS Name: oct-7-en-2-ynoic acid [(1R,2R,5R)-2-methyl-5-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2R,5R)-2-methyl-5-(2-phenylpropan-2-yl)cyclohexyl] oct-7-en-2-ynoate Traditional Name: oct-7-en-2-ynoic acid [(1R,2R,5R)-5-cumyl-2-methyl-cyclohexyl] ester Formula: C24H32O2 MolecularWeight: 352.50968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1OC(=O)C#CCCCC=C)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C24H32O2/c1-5-6-7-8-12-15-23(25)26-22-18-21(17-16-19(22)2)24(3,4)20-13-10-9-11-14-20/h5,9-11,13-14,19,21-22H,1,6-8,16-18H2,2-4H3/t19-,21-,22-/m1/s1