4-[(1-cyclohexyl-3-propan-2-yloxy-propan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoic acid

Systemtic Name: 4-[(1-cyclohexyl-3-propan-2-yloxy-propan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[1-(cyclohexylmethyl)-2-isopropoxy-ethoxy]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[(1-cyclohexyl-3-propan-2-yloxypropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[(1-cyclohexyl-3-propan-2-yloxypropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[1-(cyclohexylmethyl)-2-isopropoxy-ethoxy]methyl]-2-(o-tolyl)benzoic acid Formula: C27H36O4 MolecularWeight: 424.57234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CC3CCCCC3)COC(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CC3CCCCC3)COC(C)C)C(=O)O

InChI

InChI=1S/C27H36O4/c1-19(2)30-18-23(15-21-10-5-4-6-11-21)31-17-22-13-14-25(27(28)29)26(16-22)24-12-8-7-9-20(24)3/h7-9,12-14,16,19,21,23H,4-6,10-11,15,17-18H2,1-3H3,(H,28,29)