ethyl 2-[2-[(1R,2R,6R)-2-ethenyl-6-ethoxycarbonyl-2,6-dimethyl-cyclohexyl]ethyl]-4-propan-2-yl-benzoate

Systemtic Name: ethyl 2-[2-[(1R,2R,6R)-2-ethenyl-6-ethoxycarbonyl-2,6-dimethyl-cyclohexyl]ethyl]-4-propan-2-yl-benzoate Openeye Name: ethyl 2-[2-[(1R,2R,6R)-2-ethoxycarbonyl-2,6-dimethyl-6-vinyl-cyclohexyl]ethyl]-4-isopropyl-benzoate CAS Name: 2-[2-[(1R,2R,6R)-2-ethenyl-6-ethoxycarbonyl-2,6-dimethylcyclohexyl]ethyl]-4-propan-2-ylbenzoic acid ethyl ester IUPAC Name: ethyl 2-[2-[(1R,2R,6R)-2-ethenyl-6-ethoxycarbonyl-2,6-dimethylcyclohexyl]ethyl]-4-propan-2-ylbenzoate Traditional Name: 2-[2-[(1R,2R,6R)-2-carbethoxy-2,6-dimethyl-6-vinyl-cyclohexyl]ethyl]-4-isopropyl-benzoic acid ethyl ester Formula: C27H40O4 MolecularWeight: 428.6041

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C(C)C)CCC2C(CCCC2(C)C(=O)OCC)(C)C=C

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C(C)C)CC[C@@H]2[C@@](CCC[C@@]2(C)C(=O)OCC)(C)C=C

InChI

InChI=1S/C27H40O4/c1-8-26(6)16-11-17-27(7,25(29)31-10-3)23(26)15-13-21-18-20(19(4)5)12-14-22(21)24(28)30-9-2/h8,12,14,18-19,23H,1,9-11,13,15-17H2,2-7H3/t23-,26+,27-/m1/s1