2-[[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxymethyl]benzoic acid

Systemtic Name: 2-[[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxymethyl]benzoic acid Openeye Name: 2-[[3-(1-adamantyl)-4-methoxy-benzoyl]oxymethyl]benzoic acid CAS Name: 2-[[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethoxy]methyl]benzoic acid IUPAC Name: 2-[[3-(1-adamantyl)-4-methoxybenzoyl]oxymethyl]benzoic acid Traditional Name: 2-[[3-(1-adamantyl)-4-methoxy-benzoyl]oxymethyl]benzoic acid Formula: C26H28O5 MolecularWeight: 420.49752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H28O5/c1-30-23-7-6-19(25(29)31-15-20-4-2-3-5-21(20)24(27)28)11-22(23)26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18H,8-10,12-15H2,1H3,(H,27,28)