2-[3-(1-adamantyl)-4-methoxy-phenyl]-2H-chromene-7-carboxylic acid

Systemtic Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]-2H-chromene-7-carboxylic acid Openeye Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]-2H-chromene-7-carboxylic acid CAS Name: 2-[3-(1-adamantyl)-4-methoxyphenyl]-2H-1-benzopyran-7-carboxylic acid IUPAC Name: 2-[3-(1-adamantyl)-4-methoxyphenyl]-2H-chromene-7-carboxylic acid Traditional Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]-2H-chromene-7-carboxylic acid Formula: C27H28O4 MolecularWeight: 416.50882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C=CC3=C(O2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2C=CC3=C(O2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H28O4/c1-30-24-7-5-20(23-6-4-19-2-3-21(26(28)29)12-25(19)31-23)11-22(24)27-13-16-8-17(14-27)10-18(9-16)15-27/h2-7,11-12,16-18,23H,8-10,13-15H2,1H3,(H,28,29)