4-[3-[3-(1-adamantyl)-4-methoxy-phenyl]-1,2-oxazol-5-yl]benzoic acid

Systemtic Name: 4-[3-[3-(1-adamantyl)-4-methoxy-phenyl]-1,2-oxazol-5-yl]benzoic acid Openeye Name: 4-[3-[3-(1-adamantyl)-4-methoxy-phenyl]isoxazol-5-yl]benzoic acid CAS Name: 4-[3-[3-(1-adamantyl)-4-methoxyphenyl]-5-isoxazolyl]benzoic acid IUPAC Name: 4-[3-[3-(1-adamantyl)-4-methoxyphenyl]-1,2-oxazol-5-yl]benzoic acid Traditional Name: 4-[3-[3-(1-adamantyl)-4-methoxy-phenyl]isoxazol-5-yl]benzoic acid Formula: C27H27NO4 MolecularWeight: 429.50758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H27NO4/c1-31-24-7-6-21(11-22(24)27-13-16-8-17(14-27)10-18(9-16)15-27)23-12-25(32-28-23)19-2-4-20(5-3-19)26(29)30/h2-7,11-12,16-18H,8-10,13-15H2,1H3,(H,29,30)