[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(3-methylbut-2-enoxymethyl)benzoate

Systemtic Name: [(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(3-methylbut-2-enoxymethyl)benzoate Openeye Name: [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-(3-methylbut-2-enoxymethyl)benzoate CAS Name: 2-(3-methylbut-2-enoxymethyl)benzoic acid [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(3-methylbut-2-enoxymethyl)benzoate Traditional Name: 2-(3-methylbut-2-enoxymethyl)benzoic acid [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C23H34O3 MolecularWeight: 358.51426

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=CC=C2COCC=C(C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@H](C1)OC(=O)C2=CC=CC=C2COCC=C(C)C)C(C)C

InChI

InChI=1S/C23H34O3/c1-16(2)12-13-25-15-19-8-6-7-9-21(19)23(24)26-22-14-18(5)10-11-20(22)17(3)4/h6-9,12,17-18,20,22H,10-11,13-15H2,1-5H3/t18-,20+,22+/m1/s1