O1-[(4-hydroxyphenyl)methyl] O3-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] propanedioate

Systemtic Name: O1-[(4-hydroxyphenyl)methyl] O3-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] propanedioate Openeye Name: O1-[(4-hydroxyphenyl)methyl] O3-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] propanedioate CAS Name: propanedioic acid O1-[(4-hydroxyphenyl)methyl] ester O3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: 1-O-[(4-hydroxyphenyl)methyl] 3-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate Traditional Name: malonic acid O1-(4-hydroxybenzyl) ester O3-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H28O5 MolecularWeight: 348.43332

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(=O)OCC2=CC=C(C=C2)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28O5/c1-13(2)17-9-4-14(3)10-18(17)25-20(23)11-19(22)24-12-15-5-7-16(21)8-6-15/h5-8,13-14,17-18,21H,4,9-12H2,1-3H3/t14-,17+,18-/m1/s1