(2-tert-butylphenyl) 3-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-benzoate

Systemtic Name: (2-tert-butylphenyl) 3-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-benzoate Openeye Name: (2-tert-butylphenyl) 2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-methyl-benzoate CAS Name: 3-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzoic acid (2-tert-butylphenyl) ester IUPAC Name: (2-tert-butylphenyl) 3-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzoate Traditional Name: 2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-methyl-benzoic acid (2-tert-butylphenyl) ester Formula: C28H38O3 MolecularWeight: 422.59952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2=C(C=CC=C2C)C(=O)OC3=CC=CC=C3C(C)(C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC2=C(C=CC=C2C)C(=O)OC3=CC=CC=C3C(C)(C)C)C(C)C

InChI

InChI=1S/C28H38O3/c1-18(2)21-16-15-19(3)17-25(21)30-26-20(4)11-10-12-22(26)27(29)31-24-14-9-8-13-23(24)28(5,6)7/h8-14,18-19,21,25H,15-17H2,1-7H3/t19-,21+,25-/m1/s1