bis(phenylmethyl) 2-[(1R,2R,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexyl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[(1R,2R,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexyl]propanedioate Openeye Name: dibenzyl 2-[(1R,2R,5R)-2-isopropenyl-5-methyl-cyclohexyl]propanedioate CAS Name: 2-[(1R,2R,5R)-5-methyl-2-(1-methylethenyl)cyclohexyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]propanedioate Traditional Name: 2-[(1R,2R,5R)-2-isopropenyl-5-methyl-cyclohexyl]malonic acid dibenzyl ester Formula: C27H32O4 MolecularWeight: 420.54058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)C(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=C)C

InChI

InChI=1S/C27H32O4/c1-19(2)23-15-14-20(3)16-24(23)25(26(28)30-17-21-10-6-4-7-11-21)27(29)31-18-22-12-8-5-9-13-22/h4-13,20,23-25H,1,14-18H2,2-3H3/t20-,23+,24-/m1/s1