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

Systemtic Name: (2-tert-butylphenyl) 3-methoxy-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-methoxy-benzoate CAS Name: 3-methoxy-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzoic acid (2-tert-butylphenyl) ester IUPAC Name: (2-tert-butylphenyl) 3-methoxy-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzoate Traditional Name: 2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-methoxy-benzoic acid (2-tert-butylphenyl) ester Formula: C28H38O4 MolecularWeight: 438.59892

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2=C(C=CC=C2OC)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=C2OC)C(=O)OC3=CC=CC=C3C(C)(C)C)C(C)C

InChI

InChI=1S/C28H38O4/c1-18(2)20-16-15-19(3)17-25(20)31-26-21(11-10-14-24(26)30-7)27(29)32-23-13-9-8-12-22(23)28(4,5)6/h8-14,18-20,25H,15-17H2,1-7H3/t19-,20+,25-/m1/s1