2-[4-(1-adamantyl)-3-methoxy-phenyl]-2H-chromene-6-carboxylic acid

Systemtic Name: 2-[4-(1-adamantyl)-3-methoxy-phenyl]-2H-chromene-6-carboxylic acid Openeye Name: 2-[4-(1-adamantyl)-3-methoxy-phenyl]-2H-chromene-6-carboxylic acid CAS Name: 2-[4-(1-adamantyl)-3-methoxyphenyl]-2H-1-benzopyran-6-carboxylic acid IUPAC Name: 2-[4-(1-adamantyl)-3-methoxyphenyl]-2H-chromene-6-carboxylic acid Traditional Name: 2-[4-(1-adamantyl)-3-methoxy-phenyl]-2H-chromene-6-carboxylic acid Formula: C27H28O4 MolecularWeight: 416.50882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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