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

Systemtic Name: 3-(1-adamantyl)-4-(4-methoxyphenyl)carbonyloxy-2-methyl-benzoic acid Openeye Name: 3-(1-adamantyl)-4-(4-methoxybenzoyl)oxy-2-methyl-benzoic acid CAS Name: 3-(1-adamantyl)-4-[(4-methoxyphenyl)-oxomethoxy]-2-methylbenzoic acid IUPAC Name: 3-(1-adamantyl)-4-(4-methoxybenzoyl)oxy-2-methylbenzoic acid Traditional Name: 3-(1-adamantyl)-2-methyl-4-p-anisoyloxy-benzoic acid Formula: C26H28O5 MolecularWeight: 420.49752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C23CC4CC(C2)CC(C4)C3)OC(=O)C5=CC=C(C=C5)OC)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C23CC4CC(C2)CC(C4)C3)OC(=O)C5=CC=C(C=C5)OC)C(=O)O

InChI

InChI=1S/C26H28O5/c1-15-21(24(27)28)7-8-22(31-25(29)19-3-5-20(30-2)6-4-19)23(15)26-12-16-9-17(13-26)11-18(10-16)14-26/h3-8,16-18H,9-14H2,1-2H3,(H,27,28)