methyl (E,4S)-4-ethyl-4-methyl-6-[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]hex-5-enoate

Systemtic Name: methyl (E,4S)-4-ethyl-4-methyl-6-[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]hex-5-enoate Openeye Name: methyl (E,4S)-4-ethyl-6-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]-4-methyl-hex-5-enoate CAS Name: (E,4S)-4-ethyl-4-methyl-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-5-hexenoic acid methyl ester IUPAC Name: methyl (E,4S)-4-ethyl-4-methyl-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-5-enoate Traditional Name: (E,4S)-4-ethyl-6-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]-4-methyl-hex-5-enoic acid methyl ester Formula: C20H36O2 MolecularWeight: 308.49864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CCC(=O)OC)C=CC1CC(CCC1C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H36O2/c1-7-20(5,13-11-19(21)22-6)12-10-17-14-16(4)8-9-18(17)15(2)3/h10,12,15-18H,7-9,11,13-14H2,1-6H3/b12-10+/t16-,17-,18+,20-/m1/s1