5-(1-adamantyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-(1-adamantyl)-1-benzofuran-2-carboxylic acid Openeye Name: 5-(1-adamantyl)benzofuran-2-carboxylic acid CAS Name: 5-(1-adamantyl)-2-benzofurancarboxylic acid IUPAC Name: 5-(1-adamantyl)-1-benzofuran-2-carboxylic acid Traditional Name: 5-(1-adamantyl)coumarilic acid Formula: C19H20O3 MolecularWeight: 296.3603

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)OC(=C5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)OC(=C5)C(=O)O

InChI

InChI=1S/C19H20O3/c20-18(21)17-7-14-6-15(1-2-16(14)22-17)19-8-11-3-12(9-19)5-13(4-11)10-19/h1-2,6-7,11-13H,3-5,8-10H2,(H,20,21)