O2-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] O1-(3-phenylpropyl) benzene-1,2-dicarboxylate

Systemtic Name: O2-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] O1-(3-phenylpropyl) benzene-1,2-dicarboxylate Openeye Name: O2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] O1-(3-phenylpropyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester O1-(3-phenylpropyl) ester IUPAC Name: 2-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-O-(3-phenylpropyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester O1-(3-phenylpropyl) ester Formula: C27H34O4 MolecularWeight: 422.55646

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=CC=C2C(=O)OCCCC3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC=CC=C2C(=O)OCCCC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C27H34O4/c1-19(2)22-16-15-20(3)18-25(22)31-27(29)24-14-8-7-13-23(24)26(28)30-17-9-12-21-10-5-4-6-11-21/h4-8,10-11,13-14,19-20,22,25H,9,12,15-18H2,1-3H3/t20-,22+,25-/m1/s1