3-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxylic acid

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxylic acid Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxylic acid CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-adamantanecarboxylic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxylic acid Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxylic acid Formula: C19H22O4 MolecularWeight: 314.37558

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)O

InChI

InChI=1S/C19H22O4/c20-17(21)19-9-12-5-13(10-19)8-18(7-12,11-19)14-1-2-15-16(6-14)23-4-3-22-15/h1-2,6,12-13H,3-5,7-11H2,(H,20,21)