3-(1-adamantyl)-4-(4-methoxyphenyl)carbonyloxy-2-(trifluoromethyl)benzoic acid

Systemtic Name: 3-(1-adamantyl)-4-(4-methoxyphenyl)carbonyloxy-2-(trifluoromethyl)benzoic acid Openeye Name: 3-(1-adamantyl)-4-(4-methoxybenzoyl)oxy-2-(trifluoromethyl)benzoic acid CAS Name: 3-(1-adamantyl)-4-[(4-methoxyphenyl)-oxomethoxy]-2-(trifluoromethyl)benzoic acid IUPAC Name: 3-(1-adamantyl)-4-(4-methoxybenzoyl)oxy-2-(trifluoromethyl)benzoic acid Traditional Name: 3-(1-adamantyl)-4-p-anisoyloxy-2-(trifluoromethyl)benzoic acid Formula: C26H25F3O5 MolecularWeight: 474.46891

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)C(=O)O)C(F)(F)F)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)C(=O)O)C(F)(F)F)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H25F3O5/c1-33-18-4-2-17(3-5-18)24(32)34-20-7-6-19(23(30)31)21(26(27,28)29)22(20)25-11-14-8-15(12-25)10-16(9-14)13-25/h2-7,14-16H,8-13H2,1H3,(H,30,31)