5-[3-(3-carboxy-4-methoxy-phenyl)-1-adamantyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[3-(3-carboxy-4-methoxy-phenyl)-1-adamantyl]-2-methoxy-benzoic acid Openeye Name: 5-[3-(3-carboxy-4-methoxy-phenyl)-1-adamantyl]-2-methoxy-benzoic acid CAS Name: 5-[3-(3-carboxy-4-methoxyphenyl)-1-adamantyl]-2-methoxybenzoic acid IUPAC Name: 5-[3-(3-carboxy-4-methoxyphenyl)-1-adamantyl]-2-methoxybenzoic acid Traditional Name: 5-[3-(3-carboxy-4-methoxy-phenyl)-1-adamantyl]-2-methoxy-benzoic acid Formula: C26H28O6 MolecularWeight: 436.49692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C5=CC(=C(C=C5)OC)C(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C5=CC(=C(C=C5)OC)C(=O)O)C(=O)O

InChI

InChI=1S/C26H28O6/c1-31-21-5-3-17(8-19(21)23(27)28)25-10-15-7-16(11-25)13-26(12-15,14-25)18-4-6-22(32-2)20(9-18)24(29)30/h3-6,8-9,15-16H,7,10-14H2,1-2H3,(H,27,28)(H,29,30)