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

Systemtic Name: 3-[3-(1-adamantyl)-4-methoxy-phenyl]-2H-chromene-7-carboxylic acid Openeye Name: 3-[3-(1-adamantyl)-4-methoxy-phenyl]-2H-chromene-7-carboxylic acid CAS Name: 3-[3-(1-adamantyl)-4-methoxyphenyl]-2H-1-benzopyran-7-carboxylic acid IUPAC Name: 3-[3-(1-adamantyl)-4-methoxyphenyl]-2H-chromene-7-carboxylic acid Traditional Name: 3-[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)C2=CC3=C(C=C(C=C3)C(=O)O)OC2)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(C=C(C=C3)C(=O)O)OC2)C45CC6CC(C4)CC(C6)C5

InChI

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